| SpectraBase Spectrum ID |
GdlSlLB4EIb |
| Name |
LNAPS 6:0/N-22:1 |
| Classification |
Glycerophosphoserines [GP03] |
| Comments |
N-acyl-lysophosphatidylserine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
677.426784253 u |
| Formula |
C34H64NO10P |
| InChI |
InChI=1S/C34H64NO10P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-25-32(37)35-31(34(39)40)29-45-46(41,42)44-28-30(36)27-43-33(38)26-23-6-4-2/h12-13,30-31,36H,3-11,14-29H2,1-2H3,(H,35,37)(H,39,40)(H,41,42)/b13-12+ |
| InChIKey |
QXFIWROIYQTZHP-OUKQBFOZNA-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 |
CCCCCCCC\C=C\CCCCCCCCCCCC(=O)NC(COP(O)(=O)OCC(O)COC(=O)CCCCC)C(O)=O |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
