| SpectraBase Spectrum ID |
36bLH37CsD3 |
| Name |
LNAPS 26:7/N-11:0 |
| Classification |
Glycerophosphoserines [GP03] |
| Comments |
N-acyl-lysophosphatidylserine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
791.473734446 u |
| Formula |
C43H70NO10P |
| InChI |
InChI=1S/C43H70NO10P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-42(47)52-36-39(45)37-53-55(50,51)54-38-40(43(48)49)44-41(46)34-32-30-28-12-10-8-6-4-2/h5,7,11,13,15-16,18-19,21-22,24-25,27,29,39-40,45H,3-4,6,8-10,12,14,17,20,23,26,28,30-38H2,1-2H3,(H,44,46)(H,48,49)(H,50,51)/b7-5-,13-11-,16-15-,19-18-,22-21-,25-24-,29-27- |
| InChIKey |
HETYTJPVSNNMMT-MONGOZKFNA-N |
| Ion Polarity |
N |
| Literature Reference |
Tsugawa, H.; Ikeda, K.; Takahashi, M.; Satoh, A.; Mori, Y.; Uchino, H.; Okahashi, N.; Yamada, Y.; Tada, I.; Bonini, P.; Higashi, Y.; Okazaki, Y.; Zhou, Z.; Zhu, Z.-J.; Koelmel, J.; Cajka, T.; Fiehn, O.; Saito, K.; Arita, M.; Arita, M. A Lipidome Atlas in MS-DIAL 4. Nature Biotechnology 2020, 38 (10), 1159–1163. |
| Literature Reference DOI |
https://doi.org/10.1038/s41587-020-0531-2 |
| Precursor Ion |
[M-H]- |
| SMILES |
CCCCCCCCCCC(=O)NC(COP(O)(=O)OCC(O)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)C(O)=O |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
