| SpectraBase Spectrum ID |
Dt4kymMGlRQ |
| Name |
LNAPS 7:0/N-22:5 |
| Classification |
Glycerophosphoserines [GP03] |
| Comments |
N-acyl-lysophosphatidylserine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
683.379834060 u |
| Formula |
C35H58NO10P |
| InChI |
InChI=1S/C35H58NO10P/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-33(38)36-32(35(40)41)30-46-47(42,43)45-29-31(37)28-44-34(39)27-25-8-6-4-2/h5,7,10-11,13-14,16-17,19-20,31-32,37H,3-4,6,8-9,12,15,18,21-30H2,1-2H3,(H,36,38)(H,40,41)(H,42,43)/b7-5-,11-10-,14-13-,17-16-,20-19- |
| InChIKey |
BIXMAJCLXOXGBY-GJCLIZKUNA-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 |
CCCCCCC(=O)OCC(O)COP(O)(=O)OCC(NC(=O)CCCCC\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 |
