| SpectraBase Spectrum ID |
1j5yADph3AQ |
| Name |
LNAPS 14:0/N-24:7 |
| Classification |
Glycerophosphoserines [GP03] |
| Comments |
N-acyl-lysophosphatidylserine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
805.489384510 u |
| Formula |
C44H72NO10P |
| InChI |
InChI=1S/C44H72NO10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-27-29-31-33-35-42(47)45-41(44(49)50)39-55-56(51,52)54-38-40(46)37-53-43(48)36-34-32-30-28-25-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,22-23,26-27,31,33,40-41,46H,3-4,6,8-10,12,14-15,18,21,24-25,28-30,32,34-39H2,1-2H3,(H,45,47)(H,49,50)(H,51,52)/b7-5-,13-11-,17-16-,20-19-,23-22-,27-26-,33-31- |
| InChIKey |
YNTAWLOMEZHLJI-XOIKVUOMNA-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 |
CCCCCCCCCCCCCC(=O)OCC(O)COP(O)(=O)OCC(NC(=O)C\C=C/C\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 |
