| SpectraBase Spectrum ID |
B0U9NORBnMZ |
| Name |
LNAPS 20:4/N-14:1 |
| Classification |
Glycerophosphoserines [GP03] |
| Comments |
N-acyl-lysophosphatidylserine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
753.458084382 u |
| Formula |
C40H68NO10P |
| InChI |
InChI=1S/C40H68NO10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-39(44)49-33-36(42)34-50-52(47,48)51-35-37(40(45)46)41-38(43)31-29-27-25-23-21-14-12-10-8-6-4-2/h10-13,16-17,19-20,24,26,36-37,42H,3-9,14-15,18,21-23,25,27-35H2,1-2H3,(H,41,43)(H,45,46)(H,47,48)/b12-10-,13-11-,17-16-,20-19-,26-24- |
| InChIKey |
BXZASZGILJIMCN-HAHHNJBSNA-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 |
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(O)COP(O)(=O)OCC(NC(=O)CCCCCCC\C=C/CCCC)C(O)=O |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
