| SpectraBase Spectrum ID |
3ef9272VCRi |
| Name |
LNAPS 2:0/N-19:1 |
| Classification |
Glycerophosphoserines [GP03] |
| Comments |
N-acyl-lysophosphatidylserine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
579.317233802 u |
| Formula |
C27H50NO10P |
| InChI |
InChI=1S/C27H50NO10P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(31)28-25(27(32)33)22-38-39(34,35)37-21-24(30)20-36-23(2)29/h11-12,24-25,30H,3-10,13-22H2,1-2H3,(H,28,31)(H,32,33)(H,34,35)/b12-11- |
| InChIKey |
OCTZXRVWOIVAPM-QXMHVHEDNA-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 |
CCCCCCCCC\C=C/CCCCCCCC(=O)NC(COP(O)(=O)OCC(O)COC(C)=O)C(O)=O |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
