| SpectraBase Spectrum ID |
K9z42zbZ5jS |
| Name |
LNAPS 4:0/N-24:6 |
| Classification |
Glycerophosphoserines [GP03] |
| Comments |
N-acyl-lysophosphatidylserine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
667.348533931 u |
| Formula |
C34H54NO10P |
| InChI |
InChI=1S/C34H54NO10P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-32(37)35-31(34(39)40)29-45-46(41,42)44-28-30(36)27-43-33(38)25-4-2/h5-6,8-9,11-12,14-15,17-18,20-21,30-31,36H,3-4,7,10,13,16,19,22-29H2,1-2H3,(H,35,37)(H,39,40)(H,41,42)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20- |
| InChIKey |
KCMWMFRDNDCULR-YNUSHXQLNA-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)OCC(O)COP(O)(=O)OCC(NC(=O)CCCC\C=C/C\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 |
