| SpectraBase Spectrum ID |
2r79ir9WEhk |
| Name |
LNAPS 17:1/N-2:0 |
| Classification |
Glycerophosphoserines [GP03] |
| Comments |
N-acyl-lysophosphatidylserine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
551.285933673 u |
| Formula |
C25H46NO10P |
| InChI |
InChI=1S/C25H46NO10P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)34-18-22(28)19-35-37(32,33)36-20-23(25(30)31)26-21(2)27/h9-10,22-23,28H,3-8,11-20H2,1-2H3,(H,26,27)(H,30,31)(H,32,33)/b10-9- |
| InChIKey |
ACSZYRQDTSNGCH-KTKRTIGZNA-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\C=C/CCCCCCCC(=O)OCC(O)COP(O)(=O)OCC(NC(C)=O)C(O)=O |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
