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TRANSCRIPT
Drug redeployment to kill leukaemia and lymphoma cells by disrupting SCD1-mediated synthesis of monounsaturated fatty acids
Andrew D. Southam1*, Farhat L. Khanim1, Rachel E. Hayden1, Julia K. Constantinou1, Katarzyna Koczula2, Robert H. Michell1, Mark R. Viant1, Mark T. Drayson3 and Chris M. Bunce1.
1 School of Biosciences, University of Birmingham, Edgbaston, Birmingham B15 2TT, UK
2 School of Cancer Sciences, University of Birmingham, Birmingham, UK
3 School of Immunity and Infection, University of Birmingham, Birmingham, UK
*Corresponding author: Dr Andrew D. Southam
Phone: +44(0)121 414-8680
FAX: +44(0)121 414-5925
Email: [email protected]
Running title: Anti-lipogenic leukaemia therapy targets SCD1
Supplemental Materials and Methods
Mass Spectrometry – SIM stitch
Data were collected using the SIM stitch approach (Southam, Payne et al. 2007) and each sample was collected in triplicate. In all cases a start delay of 30 s was used and individual SIM windows were acquired for 15 s each. Methods used: (1) polar negative ion 60-720 m/z, 9 × 100 m/z windows, 30 m/z overlap, (2) lipids positive and negative ion modes 150-1000 m/z, 6 × 200 m/z windows, 30 m/z overlap. Spectra were calibrated using the accurate masses of peaks present in the extracts (Tables S1-S4).
Table S1: Peaks used for the calibration of mass spectral data sets related to the Materials and Methods section. Accurate masses of peaks used for mass spectral calibration for direct infusion negative ion lipid analysis. Key: LPE – lysophosphatidylethanolamine; LPC – lysophosphatidylcholine; PE – phosphatidylethanolamine; PC – phosphatidylcholine; PI – phosphatidylinositol
Accurate m/z
Name
Ionform
Formula
480.3095651
LPE(18:0)
[M-H]-
C23H47NO7P-
582.3776447
LPC(18:0)
[M+OAc]-
C28H53NO9P-
716.5235808
PE(34:1)
[M-H]-
C39H75NO8P-
742.5392309
PE(36:2)
[M-H]-
C41H77NO8P-
744.5548810
PE(36:1)
[M-H]-
C41H79NO8P-
790.5603602
PC(32:1)
[M+OAc]-
C42H81NO10P-
816.5760103
PC(34:1)
[M+OAc]-
C44H83NO10P-
863.5655052
PI(36:1)
[M-H]-
C45H84O13P-
885.5498551
PI(38:4)
[M-H]-
C47H82O13P-
889.5811552
PI(38:2)
[M-H]-
C47H86O13P-
Table S2: Peaks used for the calibration of mass spectral data sets related to the Materials and Methods section. Accurate masses of peaks used for mass spectral calibration for MSMS-stitch negative ion lipid analysis. Key: PC – phosphatidylcholine; PS – phosphatidyserine
Accurate m/z
Name
Ionform
Formula
673.4813816
PS(34:1)
[M-C3H6NO2]-
C37H70NO10P-
701.5126818
PS(36:1)
[M-C3H6NO2]-
C39H74NO10P-
718.5392309
PC(32:0)
[M-CH3]-
C39H77NO8P-
716.5235808
PC(32:1)
[M-CH3]-
C39H75NO8P-
744.5548810
PC(34:1)
[M-CH3]-
C41H79NO8P-
770.5705310
PC(36:2)
[M-CH3]-
C43H81NO8P-
Table S3: Peaks used for the calibration of mass spectral data sets related to the Materials and Methods section. Accurate masses of peaks used for mass spectral calibration for direct infusion positive ion lipid analysis. Key: LPC – lysophosphatidylcholine; PC – phosphatidylcholine; DAG – diacylglycerol; TAG – triacylglycerol.
Accurate m/z
Name
Ionform
Formula
522.3554173
LPC(18:1)
[M+H]+
C26H53NO7P+
524.3710674
LPC(18:0)
[M+H]+
C26H55NO7P+
584.5248508
DAG(32:1)
[M+NH4]+
C35H70NO5+
612.5561510
DAG(34:1)
[M+NH4]+
C37H74NO5+
610.5405009
DAG(34:2)
[M+NH4]+
C37H72NO5+
734.5694330
PC(32:0)
[M+H]+
C40H81NO8P+
732.5537830
PC(32:1)
[M+H]+
C40H79NO8P+
758.569433
PC(34:2)
[M+H]+
C42H81NO8P+
760.5850831
PC(34:1)
[M+H]+
C42H83NO8P+
822.7545166
TAG(48:1)
[M+NH4]+
C51H100NO6+
848.7701667
TAG(50:2)
[M+NH4]+
C53H102NO6+
850.7858168
TAG(50:1)
[M+NH4]+
C53H104NO6+
874.7858168
TAG(52:3)
[M+NH4]+
C55H104NO6+
876.8014668
TAG(52:2)
[M+NH4]+
C55H106NO6+
900.8014668
TAG(54:4)
[M+NH4]+
C57H106NO6+
902.8171169
TAG(54:3)
[M+NH4]+
C57H108NO6+
904.8327670
TAG(54:2)
[M+NH4]+
C57H110NO6+
Table S4: Peaks used for the calibration of mass spectral data sets related to the Materials and Methods section. Accurate masses of peaks used for mass spectral calibration for direct infusion negative ion polar analysis.
Accurate m/z
Name
Ionform
Formula
145.0618662
Glutamine
[M-H]-
C5H9N2O3-
173.1043997
Arginine
[M-H]-
C6H13N4O2-
215.0327901
Glucose
[M+Cl]-
C6H12O6Cl-
239.0772414
Glucose
[M+OAc]-
C8H15O8-
346.0558097
Adenosine monophosphate
[M-H]-
C10H13N5O7P-
Mass Spectrometry – MSMS-stitch
Figure S1: Schematic showing the method for the MSMS-stitch technique related to the Materials and Methods section. Ions were isolated in 60 m/z wide windows in the ion trap (red lines). All ions in the window were fragmented by collision induced dissociation (CID, with a collision-energy of 80 eV). The daughter fragments were recorded in 100 m/z wide windows (blue lines) using the high resolution FT-ICR detector. Fragmentation and detection windows were stepped through higher m/z values, until a 670-970 m/z range had been fragmented and a 600-910 m/z range detected. The detected windows were then stitched together to create a complete spectrum (Southam, Payne et al. 2007). The peaks of interest in the resulting spectrum were neutral loss of methylacetate (C3H6O2) from phosphatidylcholine with an acetate adduct, and neutral loss of serine minus H2O (C3H5NO2) from phosphatidylserine.
Supplemental Results
Table S5: Mass spectrometry lipidomics data related to the “BaP treatment of acute myeloid leukaemia (AML) cell lines perturbs the phospholipidome” results section (see attached pdf). Negative ion mass spectrometry (phospholipid) analysis of lipid extracts from HL60 and K562 cells after 24 hr BaP treatment (0.5 mM bezafibrate, BEZ, and 5 µM medroxyprogesterone acetate, MPA). (a) HL60 cells analysed by direct infusion mass spectrometry (DIMS), (b) HL60 cells analysed by MSMS-stitch DIMS (Figure S1), (c) K562 cells analysed by DIMS and (d) K562 cells analysed by MSMS-stitch DIMS.
Table S6: Mass spectrometry lipidomics / metabolomics data related to the “BaP treatment decreases fatty acid and phospholipid synthesis and increases triacylglycerol levels” results section (see attached pdf). Negative ion DIMS (polar extract) analysis of glycerol 3-phosphate in (a) HL60 cells and (b) K562 cells treated with BaP for 24 hours. Positive ion DIMS (glycerolipid) analysis of lipid extracts from (c) HL60 and (d) K562 cells after 24 hr BaP treatment.
Table S7: Mass spectrometry 13C-glucose tracer lipidomics data related to the “BaP treatment decreases fatty acid and phospholipid synthesis and increases triacylglycerol levels” results section (see attached pdf). DIMS analysis of free fatty acids and phospholipids from lipid extracts from HL60 cells that have been treated with BaP, BEZ alone (0.5 mM) and MPA alone (5 µM) for 24 hours in the presence of 1-13C D-glucose.
Table S8: Mass spectrometry 13C-glucose tracer lipidomics phosphatidylcholine data related to the “BaP treatment decreases fatty acid and phospholipid synthesis and increases triacylglycerol levels” results section. DIMS analysis of phosphatidylcholine species from HL60 cells that have been treated with BaP, BEZ alone (0.5 mM) and MPA alone (5 µM) for 24 hours in the presence of 1-13C D-glucose. This table shows only 13C data that has come from 13C-glucose. The m/z is of the 12C peak and is in this table purely for peak annotation purposes only. MS/MS identifications are detailed in Figure S2. All data shown is n=4.
m/z found
Putative identification
Identification by MS/MS
Mean peak intensity
t-test relative to control
Fold change relative to control
Putative ID
m/z of ID
ppm error
Con
BaP
Bez
MPA
BaP
Bez
MPA
BaP
Bez
MPA
690.50794
PC(30:0)
690.50800
0.087
PC(16:0/14:0)
46912
44212
43049
49494
0.125
0.194
0.426
0.94
0.92
1.06
688.49229
PC(30:1)
688.49247
0.261
19209
17946
18532
22476
0.199
0.440
0.024
0.93
0.96
1.17
718.53916
PC(32:0)
718.53955
0.543
PC(16:0/16:0)
38988
31411
34880
38001
0.022
0.220
0.732
0.81
0.89
0.97
716.52350
PC(32:1)
716.52331
-0.265
PC(16:0/16:1) PC(14:0/18:1)
201234
145933
174826
205698
0.005
0.028
0.718
0.73
0.87
1.02
714.50793
PC(32:2)
714.50819
0.364
20564
13561
15209
19529
0.002
0.003
0.457
0.66
0.74
0.95
744.55481
PC(34:1)
744.55427
-0.725
PC(16:0/18:1)
491054
340625
391266
461771
0.002
0.017
0.416
0.69
0.80
0.94
742.53932
PC(34:2)
742.53939
0.094
PC(16:1/18:1)
139665
98546
109285
146265
0.001
0.010
0.466
0.71
0.78
1.05
740.52377
PC(34:3)
740.52399
0.297
6337
6810
5043
6790
0.485
0.088
0.769
1.07
0.80
1.07
738.50810
PC(34:4)
738.50832
0.298
1319
1640
1272
1140
0.526
0.924
0.764
1.24
0.96
0.86
772.58655
PC(36:1)
772.58727
0.932
PC(18:0/18:1)
66545
46645
51151
60081
0.010
0.030
0.379
0.70
0.77
0.90
770.57090
PC(36:2)
770.57077
-0.169
PC(18:1/18:1)
187167
121731
133430
187558
0.003
0.007
0.984
0.65
0.71
1.00
768.55541
PC(36:3)
768.55573
0.416
31538
22481
23141
31986
0.004
0.003
0.825
0.71
0.73
1.01
766.53981
PC(36:4)
766.53981
0.000
PC(16:0/20:4)
21857
23531
21525
22330
0.206
0.805
0.789
1.08
0.98
1.02
764.52418
PC(36:5)
764.52402
-0.209
5516
3833
4356
5458
0.050
0.149
0.937
0.69
0.79
0.99
762.50858
PC(36:6)
762.50820
-0.498
588
411
366
519
0.447
0.381
0.803
0.70
0.62
0.88
800.61789
PC(38:1)
800.61865
0.949
1065
585
746
1237
0.043
0.184
0.311
0.55
0.70
1.16
792.55546
PC(38:5)
792.55627
1.022
PC(16:0/22:5) PC(18:1/20:4) PC(18:0/20:5)
17092
16409
16535
16866
0.640
0.687
0.884
0.96
0.97
0.99
790.53990
PC(38:6)
790.54032
0.531
14255
14418
14288
13373
0.870
0.958
0.404
1.01
1.00
0.94
788.52422
PC(38:7)
788.52460
0.482
1535
1754
1256
1040
0.616
0.417
0.166
1.14
0.82
0.68
828.64934
PC(40:1)
828.64854
-0.965
263
242
125
56
0.885
0.365
0.150
0.92
0.48
0.21
826.63372
PC(40:2)
826.63287
-1.028
839
404
481
566
0.134
0.222
0.360
0.48
0.57
0.67
824.61821
PC(40:3)
824.61791
-0.364
662
648
440
812
0.945
0.238
0.597
0.98
0.66
1.23
822.60245
PC(40:4)
822.60256
0.134
1601
1742
1476
1822
0.461
0.514
0.414
1.09
0.92
1.14
820.58677
PC(40:5)
820.58670
-0.085
3034
3101
3230
3008
0.804
0.449
0.928
1.02
1.06
0.99
818.57114
PC(40:6)
818.57035
-0.965
4621
5790
5165
4928
0.062
0.327
0.640
1.25
1.12
1.07
816.55543
PC(40:7)
816.55428
-1.408
4030
4351
4269
3594
0.388
0.517
0.259
1.08
1.06
0.89
814.53985
PC(40:8)
814.53876
-1.338
344
457
508
646
0.313
0.327
0.243
1.33
1.48
1.88
856.67992
PC(42:1)
856.67959
-0.385
690
269
346
783
0.011
0.052
0.447
0.39
0.50
1.13
854.66427
PC(42:2)
854.66368
-0.690
788
503
371
955
0.021
0.001
0.207
0.64
0.47
1.21
852.64862
PC(42:3)
852.64860
-0.023
223
247
113
278
0.730
0.088
0.486
1.11
0.51
1.25
850.63301
PC(42:4)
850.63309
0.094
221
308
212
282
0.102
0.823
0.148
1.39
0.96
1.28
848.61726
PC(42:5)
848.61756
0.354
319
359
276
269
0.484
0.420
0.546
1.12
0.87
0.84
846.60161
PC(42:6)
846.60226
0.768
340
413
422
363
0.267
0.420
0.782
1.22
1.24
1.07
844.58594
PC(42:7)
844.58618
0.284
393
489
371
362
0.122
0.785
0.770
1.24
0.94
0.92
842.57047
PC(42:8)
842.57078
0.368
119
170
182
75
0.504
0.451
0.576
1.44
1.54
0.63
840.55468
PC(42:9)
840.55458
-0.119
27
117
75
42
0.165
0.417
0.664
4.32
2.78
1.54
838.54000
PC(42:10)
838.53816
-2.194
0
90
52
0
0.026
0.184
n/a
Inf
Inf
Inf
866.57056
PC(44:10)
866.57102
0.531
0
39
115
75
0.074
0.080
0.137
Inf
Inf
Inf
Figure S2: Identification of compounds discussed in the lipidomics results sections (see attached pdf). Identification of phospholipids and glycerol 3-phosphate using collision induced dissociation (CID) fragmentation.
Figure S3A: The absolute mass spectral intensities of 13C labelled phosphatidylcholine (PC) species in HL60 cells after BaP treatment in the presence of 1-13C D-glucose. This is related to the “BaP treatment decreases fatty acid and phospholipid synthesis and increases triacylglycerol levels” results section. These indicate species that had been synthesised de novo from 13C-glucose.
*
*
**
**
**
**
**
*
*
*
*
*
* p<0.05 ** p<0.005 *** p<0.0005
Figure S3B: The absolute mass spectral intensities of 12C phosphatidylcholine (PC) species in HL60 cells after BaP treatment in the presence of 1-13C D-glucose. This is related to the “BaP treatment decreases fatty acid and phospholipid synthesis and increases triacylglycerol levels” results section. These indicate species that had not been synthesised de novo from 13C-glucose and are potentially obtained exogenously.
*
**
*
*
*
*
*
**
**
***
***
***
**
*
***
***
***
***
*
* p<0.05 ** p<0.005 *** p<0.0005
Figure S4: Heatmaps showing the fold changes of individual phosphatidylcholine (PC) species in HL60 cells after BaP treatment in the presence of 1-13C D-glucose. This is related to the “BaP treatment decreases fatty acid and phospholipid synthesis and increases triacylglycerol levels” results section. (A) Changes to the levels of 13C PC species after BaP treatment (species synthesised de novo from glucose, same data as in Figure S3A). (B) Changes to the levels of 12C PC species after BaP treatment (species NOT synthesised de novo from glucose, same data as in Figure S3B).
(A)
Number of carbons
30
2-fold
32
*
*
**
1.5-fold
34
**
**
1.05-fold
36
*
**
**
*
no change
38
*
0.95-fold
40
0.67-fold
42
*
*
*
0.5-fold
44
0
1
2
3
4
5
6
7
8
9
10
Number of double bonds
*p<0.05 **p<0.005 ***p<0.0005
(B)
Number of carbons
30
*
**
32
*
*
34
*
*
36
*
38
**
**
***
40
*
**
***
***
42
*
***
***
***
44
***
0
1
2
3
4
5
6
7
8
9
10
Number of double bonds
Figure S5A: The absolute mass spectral intensities of 13C labelled free fatty acids in HL60 cells after BaP treatment in the presence of 13C D-glucose. This is related to the “A commercial SCD1 inhibitor can partially recapitulate the effect of BaP on lipogenesis” section. This indicates fatty acids that have been synthesised de novo from 13C-glucose.
Figure S5B: The absolute mass spectral intensities of 13C labelled saturated (SFA: C16:0 and C18:0) and monounsaturated (MUFA: C16:1 and C18:1) free fatty acids in HL60 cells after BaP treatment in the presence of 13C D-glucose. This is related to the “A commercial SCD1 inhibitor can partially recapitulate the effect of BaP on lipogenesis” section. This indicates fatty acids that have been synthesised de novo from 13C-glucose.
* p<0.05 ** p<0.005 *** p<0.0005
*
**
**
ns
* p<0.05 ** p<0.005 *** p<0.0005
***
Figure S6A: The absolute mass spectral intensities of 13C labelled phosphatidylcholine (PC) in HL60 cells after BaP treatment in the presence of 13C D-glucose. This is related to the “A commercial SCD1 inhibitor can partially recapitulate the effect of BaP on lipogenesis” section. These indicate species that have been synthesised de novo from 13C-glucose.
**
***
* p<0.05 ** p<0.005 *** p<0.0005
Figure S6B: The absolute mass spectral intensities of 12C labelled phosphatidylcholine (PC) in HL60 cells after BaP treatment in the presence of 13C D-glucose. This is related to the “A commercial SCD1 inhibitor can partially recapitulate the effect of BaP on lipogenesis” section. These indicate species that had not been synthesised de novo from 13C-glucose and are potentially obtained exogenously.
**
* p<0.05 ** p<0.005 *** p<0.0005
Figure S7: Images of cells supplemented with oleic acid related to the “Oleate decreases the levels of BaP-induced reactive oxygen species (ROS)” results section. Images of BL31 and HL60 cells stained with Jenna Giemsa after treatment with vehicle control or BaP for 24 h, with or without 300 µM oleic acid. Oleic acid induced the presence of lipid droplets in the cytoplasm in the cells.
Supplemental Reference
Southam, A. D., et al. (2007). "Dynamic range and mass accuracy of wide-scan direct infusion nanoelectrospray Fourier transform ion cyclotron resonance mass spectrometry-based metabolomics increased by the spectral stitching method." Analytical Chemistry 79(12): 4595-4602.
Control535.79664749946051433.87764588115488412.545360324337035767.63319253914411001.15128516325038518.81069417573784401.4544861980175189.06879628110397206.777736785599733155.674188539814211234.0261886958511933.4914778836842749.36263544137819521.69836463339709280.26857558414849105.094170509419712097.3010100502521070.6763673403516290.80379053752011156.0047494305166215.23062258584764158.26534996031586263.42342487583335460.37690193415239704.12488440233096579.0545896266736572.77305082977493152.587382704119371058.3823336616716829.96692028423220638.58610282856015835.48500147037670271.90383867802356177.71333324001086961.24453813375186723.7087686310093728.636487292937261535.79664749946051433.87764588115488412.545360324337035767.63319253914411001.15128516325038518.81069417573784401.4544861980175189.06879628110397206.777736785599733155.674188539814211234.0261886958511933.4914778836842749.36263544137819521.69836463339709280.26857558414849105.094170509419712097.3010100502521070.6763673403516290.80379053752011156.0047494305166215.23062258584764158.26534996031586263.42342487583335460.37690193415239704.12488440233096579.0545896266736572.77305082977493152.587382704119371058.3823336616716829.96692028423220638.58610282856015835.48500147037670271.90383867802356177.71333324001086961.24453813375186723.7087686310093728.636487292937261PC(30:0)PC(30:1)PC(32:0)PC(32:1)PC(32:2)PC(34:1)PC(34:2)PC(34:3)PC(34:4)PC(36:1)PC(36:2)PC(36:3)PC(36:4)PC(36:5)PC(36:6)PC(38:1)PC(38:5)PC(38:6)PC(38:7)PC(40:1)PC(40:2)PC(40:3)PC(40:4)PC(40:5)PC(40:6)PC(40:7)PC(40:8)PC(42:1)PC(42:10)PC(42:2)PC(42:3)PC(42:4)PC(42:5)PC(42:6)PC(42:7)PC(42:8)PC(42:9)PC(44:10)9159.36143499676848231.82453437742889924.8551311874762120876.5514674215515754.702902665907245189.61926916952119191.213074691368082.81401118398572742.281339225946343647.171840772462186839.6492865652536355.48543551533730616.5981528651216896.2530204437453854.635657555122291377.242802163474831854.28313266683819745.0894320445622306.3325578308677303.18382275008923741.550793098553981004.39847191965622826.2719634613247051.591969241978414509.4917128990569987.7978684438149994.33911293087772752.073980515208860704.39405266206381317.65892068499898441.5757481707443453.00137691450709842.92964534226417695.18570331860928613.89989158733101752.4375814235495533.06656729444525BaP427.14733802584709243.45043194768178941.4380413034727968.0969711232628641.081191248878447145.60337413931943654.5235982174636209.44158212856209165.479183559053891987.88437126509035981.9291778127508454.030741023252692082.361817446445847.65484376211464251.9446552329223450.8491431002462091349.09182505421221315.2087406224894226.34139164882168118.3669542472390571.05821598059000653.983463427499359163.24752261975544339.98463773429103716.50398321129217541.95584492070668208.6914621125087684.9293896412059357.75676648371592160.20033514833719624.04582428708197716.33388412700283320.45181260853939568.23417661800115846.09538752755415933.58062161677570982.10384477584469228.224068147339747427.14733802584709243.45043194768178941.4380413034727968.0969711232628641.081191248878447145.60337413931943654.5235982174636209.44158212856209165.479183559053891987.88437126509035981.9291778127508454.030741023252692082.361817446445847.65484376211464251.9446552329223450.8491431002462091349.09182505421221315.2087406224894226.34139164882168118.3669542472390571.05821598059000653.983463427499359163.24752261975544339.98463773429103716.50398321129217541.95584492070668208.6914621125087684.9293896412059357.75676648371592160.20033514833719624.04582428708197716.33388412700283320.45181260853939568.23417661800115846.09538752755415933.58062161677570982.10384477584469228.224068147339747PC(30:0)PC(30:1)PC(32:0)PC(32:1)PC(32:2)PC(34:1)PC(34:2)PC(34:3)PC(34:4)PC(36:1)PC(36:2)PC(36:3)PC(36:4)PC(36:5)PC(36:6)PC(38:1)PC(38:5)PC(38:6)PC(38:7)PC(40:1)PC(40:2)PC(40:3)PC(40:4)PC(40:5)PC(40:6)PC(40:7)PC(40:8)PC(42:1)PC(42:10)PC(42:2)PC(42:3)PC(42:4)PC(42:5)PC(42:6)PC(42:7)PC(42:8)PC(42:9)PC(44:10)11920.84942343043310938.71916035668311998.185466959267157132.25951130120411.152244416953271508.26642550423137464.183776441239387.74451517615313462.189657930635847688.693762650088184321.6054966449239040.28715063168839023.0628863482498995.85386794842821890.30511010342321323.214021483934647667.25651517058630851.2569206793235307.0513923932476409.53199281152968972.567811356160751246.55080351415813148.72840074170619266.626670927194921842.28805929007619572.9511860502463269.8708508137215807.973320235063281357.9429760879589718.88042457214431291.35992858492386379.50290740480472506.83868801201277826.079699579767181014.5983053447061248.40330249535242229.8578868941086454.62921536342276
Phosphatidylcholine species
Mass spectral absolute inetensity
Control2.45494619492979732.6250442898842373.97352876770526293.41126054886539442.45494619492979732.6250442898842373.97352876770526293.411260548865394416:016:118:018:1100100.0000000000000110099.99999999999998610 nM SCD1 inhibitor (ab142089)1.07891675683850562.06757573865799544.71300769121002722.07442250085451851.07891675683850562.06757573865799544.71300769121002722.074422500854518516:016:118:018:194.62515370080846883.167974422370747120.1513705065820370.058099599362436
Free fatty acid
Mass spectral intensity relative to control (%)
Control3.00681980192148132.85218271095104563.00681980192148132.8521827109510456SFAMUFA10010010 nM SCD1 inhibitor (ab142089)3.02924240168704181.72615783980105153.02924240168704181.7261578398010515SFAMUFA111.1054357327523773.109874693253559
Mass spectral intensity relative to control (%)
Control2661.20111602704365803.10080934616053266.350229377809739346.41459326766235336.96802463017215153.3704404774916532.39778902742735846.61073391518499255.935510154740828762.4156908388654380.64348331068055519.81875929110452284.0957709872105477.05787155176318507.769326202633011200.98196801243221PC(30:0)PC(30:1)PC(32:0)PC(32:1)PC(34:1)PC(34:2)PC(34:3)PC(34:4)PC(36:1)PC(36:2)PC(36:3)PC(36:4)PC(36:5)PC(38:5)PC(40:5)PC(40:6)85554.92774446314448025.61796988797137703.96565447071695177.77414314123994045.36408038938269184.16623180866132833.68512928596133913.15045391582184545.54857970291761879.58507084893164797.3149804637769952.30577217464518688.52234607649765118.5672546450818480.544320009361422674.15224765730810 nM SCD1 inhibitor (ab14209)7861.30010116062395397.56148627949912401.199742454600740244.94342851240132852.76244808810610514.1541603982558861.708168598062910001.24845603413111896.53762600630619463.9837038524097990.49599075240717591.27763794660222256.55172085805131890.447215165485577.580211566612323527.75252175450491PC(30:0)PC(30:1)PC(32:0)PC(32:1)PC(34:1)PC(34:2)PC(34:3)PC(34:4)PC(36:1)PC(36:2)PC(36:3)PC(36:4)PC(36:5)PC(38:5)PC(40:5)PC(40:6)81853.23767205064455741.64196804023241280.60677141638685439.02399697225898618.4835247274256620.45413330966125970.26155891818141906.02748828751252703.7308627826584932.88353605405157052.6215296190963811.37432933656221129.25459547547554963.9840989525557676.557526719790128517.698562515572
Phosphatidylcholine species
Mass spectral absolute intensity
Control1899.12572204448321435.4509406545893222.236035981461120597.96403869051917605.34771538843114029.7960398998098517.276885804603816160.0659701814896625.690773754241522153.4439689633154694.79963092560234399.17258074016174170.4495715522085062.87473961551861124.12536618347463184.14686452742491899.12572204448321435.4509406545893222.236035981461120597.96403869051917605.34771538843114029.7960398998098517.276885804603816160.0659701814896625.690773754241522153.4439689633154694.79963092560234399.17258074016174170.4495715522085062.87473961551861124.12536618347463184.1468645274249PC(30:0)PC(30:1)PC(32:0)PC(32:1)PC(34:1)PC(34:2)PC(34:3)PC(34:4)PC(36:1)PC(36:2)PC(36:3)PC(36:4)PC(36:5)PC(38:5)PC(40:5)PC(40:6)48444.56198962734241780.11947206762931873.254712910159469278.22385375132508702.8073848472268491.74847171351150844.09234585299234863.61329433304112841.44147493926557884.12416732416138227.44125952947102809.8590304310877632.01070476445692883.55662007360726411.44279373282653335.19314914242610 nM SCD1 inhibitor (ab14209)2308.53914355846521700.6561610770883433.092363813531831323.74981867402323607.1161809817612860.76830845343611786.7746062172721796.3811703048016056.312244445876821129.6601947892966166.58050634546185517.63059855246413154.90258946188315011.15468833455721718.75427881288242524.16632128394441PC(30:0)PC(30:1)PC(32:0)PC(32:1)PC(34:1)PC(34:2)PC(34:3)PC(34:4)PC(36:1)PC(36:2)PC(36:3)PC(36:4)PC(36:5)PC(38:5)PC(40:5)PC(40:6)38476.99235928623250723.77620681014431325.930000035361472241.65495620097516663.65098404395281067.6633515025136910.24893993777220662.0802438129151811.89627265345591317.63420783833142085.3187592454299030.40173345082465278.26329756925483159.91739753735628311.25417721999547554.797045996107
Phosphatidylcholine species
Mass spectral absolute inetnsity
Control1041.3578986501016540.455737841321591711.66363756743365859.8199330595744805.0489725621060921835.5060252724625072.4644677679225434.02941922394359374.787633384686444297.818448383251111164.2817253949161301.182776824583907.47581417220738551.11817652215018173.73539626252651123.894476756714971088.3060469561829509.69548474109388224.9956907298324397.070141085510883210.02672067779949141.62278868401836103.04710359869078176.09338177021539381.13296028881388188.9395828604649245.3275534053827379.988009219641498048.38353596210675532.99161174588201824.93446265414661422.03011967788340247.09661778230901141.25378585829894751.86640682506499923.42034901180183901041.3578986501016540.455737841321591711.66363756743365859.8199330595744805.0489725621060921835.5060252724625072.4644677679225434.02941922394359374.787633384686444297.818448383251111164.2817253949161301.182776824583907.47581417220738551.11817652215018173.73539626252651123.894476756714971088.3060469561829509.69548474109388224.9956907298324397.070141085510883210.02672067779949141.62278868401836103.04710359869078176.09338177021539381.13296028881388188.9395828604649245.3275534053827379.988009219641498048.38353596210675532.99161174588201824.93446265414661422.03011967788340247.09661778230901141.25378585829894751.86640682506499923.4203490118018390PC(30:0)PC(30:1)PC(32:0)PC(32:1)PC(32:2)PC(34:1)PC(34:2)PC(34:3)PC(34:4)PC(36:1)PC(36:2)PC(36:3)PC(36:4)PC(36:5)PC(36:6)PC(38:1)PC(38:5)PC(38:6)PC(38:7)PC(40:1)PC(40:2)PC(40:3)PC(40:4)PC(40:5)PC(40:6)PC(40:7)PC(40:8)PC(42:1)PC(42:10)PC(42:2)PC(42:3)PC(42:4)PC(42:5)PC(42:6)PC(42:7)PC(42:8)PC(42:9)PC(44:10)46911.70176868954119208.91103187733838988.29795904112201234.168465003920563.506605268914491054.18997402472139664.887402162256337.11068337834151319.421703842141166545.097957882157187166.8457810741431537.94134913852421857.2815365153265515.989383782141588.270593701376241064.669709807200217091.57966789864414255.1627614307871534.9050421812738263.09742797302926839.21345884470145662.195101362965031600.52461968371133034.14873886496754620.86637232517664029.557305542246343.65168163687781690.495502899473880787.65459221225467222.78528988167017221.03935661516232318.78823099919379339.75624501837751393.46939708192622118.5431811424471127.0434896129575580BaP798.58419615297271531.476282041790911265.7438102507469620.6416526786124791.6203442129267413532.8955717716293575.2857758961263337.98000719784022172.409409493441191761.77370948334264710.0466849005371178.2255735839315472.82463768061433224.9030804536868473.117363834595977105.06691993625698509.2085106944196649.43857045371669278.087872696066270.18160242429021956.23989956248575393.425145622238915116.43055288691062137.79616134929259223.13945214487484232.2534603315565476.31434050092315162.39561893668760526.4595391675572163.43708494938008646.65035490686046430.13975540900775140.61164843822557922.33184747652149219.91386837708934435.76905919738410943.3032148859321515.559910041108415798.58419615297271531.476282041790911265.7438102507469620.6416526786124791.6203442129267413532.8955717716293575.2857758961263337.98000719784022172.409409493441191761.77370948334264710.0466849005371178.2255735839315472.82463768061433224.9030804536868473.117363834595977105.06691993625698509.2085106944196649.43857045371669278.087872696066270.18160242429021956.23989956248575393.425145622238915116.43055288691062137.79616134929259223.13945214487484232.2534603315565476.31434050092315162.39561893668760526.4595391675572163.43708494938008646.65035490686046430.13975540900775140.61164843822557922.33184747652149219.91386837708934435.76905919738410943.3032148859321515.559910041108415PC(30:0)PC(30:1)PC(32:0)PC(32:1)PC(32:2)PC(34:1)PC(34:2)PC(34:3)PC(34:4)PC(36:1)PC(36:2)PC(36:3)PC(36:4)PC(36:5)PC(36:6)PC(38:1)PC(38:5)PC(38:6)PC(38:7)PC(40:1)PC(40:2)PC(40:3)PC(40:4)PC(40:5)PC(40:6)PC(40:7)PC(40:8)PC(42:1)PC(42:10)PC(42:2)PC(42:3)PC(42:4)PC(42:5)PC(42:6)PC(42:7)PC(42:8)PC(42:9)PC(44:10)44211.78411070421117945.64281689572831411.309373468255145932.8900951541713561.332274263763340625.3504090557198546.4668432368936810.09671057861031640.033999607657346645.162866878592121730.9620002797522480.8152243424723530.824981971883833.1287544390193411.10902508109547584.6677356875137516408.52447171074914418.2480109351441753.5132455022849242.21882262268937404.49740333911359648.09316646910771741.7661057954693101.10975851674995790.08202753508254351.0082124154405456.63299890700603268.7048681136723890.127595324690958502.98172422526522246.62526009291494308.22410914734513358.55302696851732413.33113022501391488.62349944115482170.20144431340483116.8962150621363538.862667507560786
Phosphatidylcholine species
Mass spectral absolute intensity