| SpectraBase Spectrum ID |
JIUBGHKB4HS |
| Name |
LNAPS 13:1/N-13:1 |
| Classification |
Glycerophosphoserines [GP03] |
| Comments |
N-acyl-lysophosphatidylserine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
647.379834060 u |
| Formula |
C32H58NO10P |
| InChI |
InChI=1S/C32H58NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-30(35)33-29(32(37)38)27-43-44(39,40)42-26-28(34)25-41-31(36)24-22-20-18-16-14-12-10-8-6-4-2/h7-10,28-29,34H,3-6,11-27H2,1-2H3,(H,33,35)(H,37,38)(H,39,40)/b9-7-,10-8- |
| InChIKey |
ISORJVIDWXGEAN-XOHWUJONNA-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 |
CCC\C=C/CCCCCCCC(=O)NC(COP(O)(=O)OCC(O)COC(=O)CCCCCCC\C=C/CCC)C(O)=O |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
