BEGIN IONS
SPECTRUMID=330
NAME=HexCer 44:3;O3 | HexCer 18:1;O2/26:2;O # [M+H]+  | HexCer 44:3;O3 | HexCer 18:2;O2/26:1;O # [M+H]+  @RT 17.9 min
FORMULA=C50H94NO9
ADDUCT=[M+H]+
PEPMASS=852.1863
COLLISION_ENERGY=
RTINMINUTES=17.90
CHARGE=1+
SOURCE_INSTRUMENT=MS:1002674
ION_SOURCE=
IONMODE=Positive
PI=Yu Xia Lab, Tsinghua University
Num peaks=131
107.0825 1.01 # ""
109.1034 3.27 # ""
111.1173 1.51 # ""
113.1313 0.5 # ""
115.0386 0.5 # ""
121.0995 0.75 # ""
122.1043 0.5 # ""
123.1174 1.76 # ""
127.0468 0.5 # ""
127.1067 0.5 # ""
133.0989 1.01 # ""
135.1172 1.51 # ""
137.1243 0.75 # ""
147.1174 1.01 # ""
149.1337 1.01 # ""
151.1466 0.75 # ""
153.1667 0.5 # ""
161.1222 0.5 # ""
162.147 0.5 # ""
163.1405 1.01 # ""
166.1275 0.5 # ""
169.1794 0.5 # ""
175.1408 0.5 # ""
187.1588 0.5 # ""
189.1622 1.01 # ""
194.1893 0.5 # ""
210.1896 0.5 # ""
212.184 0.5 # ""
241.15 0.5 # ""
245.2296 1.51 # ""
247.2433 2.51 # ""
249.252 0.5 # ""
250.2547 14.07 # ""
251.252 2.01 # ""
252.2694 12.56 # ""
253.2794 1.01 # ""
262.2535 100 # "LCB 18:2;O2 #[M-H4O2+H]+ # C18H32N"
262.478 1.01 # ""
262.5938 0.5 # ""
263.0735 0.5 # ""
263.255 8.04 # ""
264.0425 0.75 # ""
264.2676 87.04 # "LCB 18:1;O2 #[M-H4O2+H]+ # C18H34N"
264.673 0.5 # ""
264.8418 0.5 # ""
265.2694 8.54 # ""
265.778 1.01 # ""
266.2849 3.52 # ""
270.8843 0.5 # ""
273.2546 1.01 # ""
278.3069 0.5 # ""
279.3207 0.5 # ""
280.263 10.8 # ""
280.3619 0.5 # ""
281.2681 1.01 # ""
282.2787 9.8 # ""
283.2788 0.5 # ""
290.2822 6.53 # ""
291.2829 1.51 # ""
298.2886 0.5 # ""
306.2627 0.5 # ""
308.2121 0.5 # ""
308.2952 1.01 # ""
312.2919 0.5 # ""
326.2939 0.5 # ""
352.3114 0.5 # ""
365.387 0.5 # ""
373.3323 0.5 # ""
374.3648 0.75 # ""
375.3583 0.5 # ""
390.3716 0.5 # ""
392.3865 1.51 # ""
394.4025 0.5 # ""
406.3623 1.01 # ""
408.3702 0.5 # ""
410.3965 2.76 # ""
411.3966 0.5 # ""
420.3838 1.01 # ""
422.402 0.75 # ""
423.4102 0.75 # ""
424.3598 0.5 # ""
432.3849 0.5 # ""
450.402 1.51 # ""
452.4073 1.26 # ""
460.4231 0.5 # ""
468.5661 0.5 # ""
472.4235 0.5 # ""
476.4733 0.5 # ""
486.3013 0.5 # ""
516.4915 0.75 # ""
551.3581 0.5 # ""
551.4922 0.5 # ""
553.5234 0.5 # ""
579.5257 0.75 # ""
580.5456 0.5 # ""
590.5329 0.75 # ""
593.5868 0.5 # ""
609.6217 0.5 # ""
614.6022 0.75 # ""
617.6161 0.5 # ""
624.6036 1.01 # ""
626.6206 2.51 # ""
627.6383 1.01 # ""
628.5981 1.01 # ""
640.4298 0.5 # ""
642.618 20.6 # ""
642.7947 1.01 # ""
643.6245 4.02 # ""
652.6629 0.5 # ""
654.0843 0.5 # ""
654.6177 82.81 # "Cer 18:1;O2/26:2;O #[M-H4O2+H]+ # C44H80NO2 | Cer 18:2;O2/26:1;O #[M-H4O2+H]+ # C44H80NO2"
654.9197 0.5 # ""
655.0894 0.5 # ""
655.3375 0.5 # ""
655.6197 26.63 # ""
656.4874 0.5 # ""
656.6353 13.07 # ""
656.8273 0.5 # ""
657.6366 5.03 # ""
669.532 0.5 # ""
672.6284 26.63 # "Cer 18:1;O2/26:2;O #[M-H2O+H]+ # C44H82NO3 | Cer 18:2;O2/26:1;O #[M-H2O+H]+ # C44H82NO3"
673.1673 0.5 # ""
673.6322 6.78 # ""
834.6848 6.53 # ""
835.6939 1.01 # ""
850.2399 0.5 # ""
851.666 18.59 # ""
852.6742 41.61 # ""
853.0091 0.5 # ""
853.1581 0.5 # ""
853.6707 3.02 # ""
END IONS