| SpectraBase Spectrum ID |
63k8KcUPT9x |
| Name |
LNAPS 26:5/N-4:0 |
| Classification |
Glycerophosphoserines [GP03] |
| Comments |
N-acyl-lysophosphatidylserine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
697.395484124 u |
| Formula |
C36H60NO10P |
| InChI |
InChI=1S/C36H60NO10P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-35(40)45-29-32(38)30-46-48(43,44)47-31-33(36(41)42)37-34(39)27-4-2/h5-6,8-9,11-12,14-15,17-18,32-33,38H,3-4,7,10,13,16,19-31H2,1-2H3,(H,37,39)(H,41,42)(H,43,44)/b6-5-,9-8-,12-11-,15-14-,18-17- |
| InChIKey |
SMLJBYHRLXSOAG-AAQCHOMXNA-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 |
CCCC(=O)NC(COP(O)(=O)OCC(O)COC(=O)CCCCCCCCC\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 |
