| SpectraBase Spectrum ID |
3WJtYdi8tB7 |
| Name |
LNAPE 16:2/N-7:0 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
N-acyl-lysophosphatidylethanolamine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
561.343054628 u |
| Formula |
C28H52NO8P |
| InChI |
InChI=1S/C28H52NO8P/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-21-28(32)35-24-26(30)25-37-38(33,34)36-23-22-29-27(31)20-18-8-6-4-2/h7,9,11-12,26,30H,3-6,8,10,13-25H2,1-2H3,(H,29,31)(H,33,34)/b9-7-,12-11- |
| InChIKey |
HVUWDDQACCTFQN-BWGIOWMMNA-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(=O)NCCOP(O)(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/CCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
