Int. J. Mol. Sci. 2016, 17, 1628; doi:ijms17101628
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Supplementary Materials: New Potential Biomarker for Methasterone Misuse in Human Urine by Liquid Chromatography Quadrupole Time of Flight Mass Spectrometry Jianli Zhang, Jianghai Lu, Yun Wu, Xiaobing Wang, Youxuan Xu, Yinong Zhang and Yan Wang x10 6
- EIC(493.2807) Scan masterone-3.d Smooth
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2.8 2.6 2.4 2.2 2 1.8 1.6 1.4 1.2 1 0.8 0.6 0.4 0.2 0 6
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8 8.5 9 9.5 Counts vs. Acquisition Time (min)
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13.8 14 14.2 14.4 14.6 Counts vs. Acquisition Time (min)
Figure S1. Cont.
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Int. J. Mol. Sci. 2016, 17, 1628; doi:ijms17101628 x10 5
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-ESI Product Ion (9.183 min) Frag=130.0V
[email protected] (493.2807[z=1] -> **) masterone03-2.d
c 1.4
85.0299
1.3 1.2 1.1 1 0.9 0.8 0.7 113.0243
0.6 0.5
493.2806
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301.2175 157.0141
0.1
359.2592
204.0857
431.2768
0 75
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-ESI Product Ion (13.537 min) Frag=130.0V
[email protected] (493.2807[z=1] -> **) masterone03-2.d
d
75.0088
8 7 6
113.0240
5 4 493.2811
3 2 1
175.0239
240.6425
301.2174
375.2581
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Figure S1. The EIC and product ion scan chromatograms of G1 (a,c) and G2 (b,d) in LC-QTOF-MS negative mode.
Int. J. Mol. Sci. 2016, 17, 1628; doi:ijms17101628
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- EIC(495.2963) Scan masterone-3.d
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x10 4 -ESI Product Ion (9.400 min) Frag=130.0V
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75.0092
4.5 4 3.5 3 495.2966
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113.0243
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175.0241
317.2488
435.2712
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Figure S2. The EIC (a) and product ion scan chromatogram (b) of G3 (RT: 9.4 min) in LC-QTOF-MS negative mode.
Int. J. Mol. Sci. 2016, 17, 1628; doi:ijms17101628
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x10 5 - EIC(509.2756) Scan masterone-3.d Smooth 3.4
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x10 5 -ESI Scan (8.123 min) Frag=130.0V masterone-3.d 3.4
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Figure S3. The EIC (a) and product ion scan chromatogram (b) of G4 in LC-QTOF-MS negative mode.
Int. J. Mol. Sci. 2016, 17, 1628; doi:ijms17101628
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x10 5 - EIC(511.2913) Scan masterone-4.d Smooth
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Figure S4. The EIC (a) and full scan chromatogram (b) of G5 in LC-QTOF-MS negative mode.
Int. J. Mol. Sci. 2016, 17, 1628; doi:ijms17101628
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x10 4 - EIC(525.2705) Scan masterone-3.d Smooth 3
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[email protected] (525.2705[z=1] -> **) masterone03-2.d 1.6 1.5
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75.0093
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1.3 1.2 1.1 1 349.2395
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0.8 329.2126
0.7 0.6 0.5 149.0595
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419.2547
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Figure S5. The EIC (a) and product ion chromatogram (b) of G6 in LC-QTOF-MS negative mode.
Int. J. Mol. Sci. 2016, 17, 1628; doi:ijms17101628
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1.5 75.0091 1.4 113.0238
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0.6 0.5 0.4 181.0876
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558.0314 474.9902
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Figure S6. The EIC (a) and product ion chromatogram (b) of G7 in LC-QTOF-MS negative mode.
Int. J. Mol. Sci. 2016, 17, 1628; doi:ijms17101628 x10 5 1.8
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- EIC(415.2160) Scan masterone-4.d Smooth (2)
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4 4.5 5 5.5 6 Counts vs. Acquisition Time (min)
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Figure S7. The EIC of S1 in LC-QTOF-MS negative mode. x10 5 - EIC(413.2003) Scan masterone-3.d Smooth 2.1 2 1.9 1.8 1.7 1.6 1.5 1.4 1.3 1.2 1.1 1 0.9 0.8 0.7 0.6 0.5 0.4 0.3 0.2 0.1 0 7.5
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Figure S8. Cont.
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-ESI Product Ion (8.515 min) Frag=130.0V
[email protected] (413.2003[z=1] -> **) masterone04-2.d
2.8
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96.9603
2.6 2.4 2.2 2 1.8 1.6 1.4 1.2 1 413.2006
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Figure S8. The EIC (a) and product ion chromatogram (b) of S2 in LC-QTOF-MS negative mode.
a
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Figure S9. Cont.
Int. J. Mol. Sci. 2016, 17, 1628; doi:ijms17101628
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c
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Figure S9. The Electron ionization mass spectra of TMS derivatives of M1(a), M2(b), M3(c), M5(d).
