| SpectraBase Spectrum ID |
tKU73txQeh |
| Name |
LNAPS 2:0/N-24:7 |
| Classification |
Glycerophosphoserines [GP03] |
| Comments |
N-acyl-lysophosphatidylserine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
637.301583738 u |
| Formula |
C32H48NO10P |
| InChI |
InChI=1S/C32H48NO10P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-31(36)33-30(32(37)38)27-43-44(39,40)42-26-29(35)25-41-28(2)34/h4-5,7-8,10-11,13-14,16-17,19-20,22-23,29-30,35H,3,6,9,12,15,18,21,24-27H2,1-2H3,(H,33,36)(H,37,38)(H,39,40)/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-,23-22- |
| InChIKey |
XALNKSWATWKQMO-IIBCDDELNA-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 |
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC(=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 |
