| SpectraBase Spectrum ID |
Dn9Lrbui3pR |
| Name |
LNAPS 20:4/N-18:4 |
| Classification |
Glycerophosphoserines [GP03] |
| Comments |
N-acyl-lysophosphatidylserine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
803.473734446 u |
| Formula |
C44H70NO10P |
| InChI |
InChI=1S/C44H70NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(48)53-37-40(46)38-54-56(51,52)55-39-41(44(49)50)45-42(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-22,24-25,27-28,30,40-41,46H,3-5,7,9-10,15-16,20,23,26,29,31-39H2,1-2H3,(H,45,47)(H,49,50)(H,51,52)/b8-6-,13-11-,14-12-,19-17-,21-18-,24-22-,27-25-,30-28- |
| InChIKey |
IPGYWWZTCIJMTL-DIWDXOCKNA-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)CCCC\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 |
