| SpectraBase Spectrum ID |
KDRAvxjtiXu |
| Name |
PE O-8:0_18:5 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
Ether-linked phosphatidylethanolamine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
583.363790074 u |
| Formula |
C31H54NO7P |
| InChI |
InChI=1S/C31H54NO7P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-31(33)39-30(29-38-40(34,35)37-27-25-32)28-36-26-23-21-10-8-6-4-2/h5,7,11-12,14-15,17-18,20,22,30H,3-4,6,8-10,13,16,19,21,23-29,32H2,1-2H3,(H,34,35)/b7-5-,12-11-,15-14-,18-17-,22-20- |
| InChIKey |
ZFEJKENFKWNYCU-YJXIRHGTNA-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 |
CCCCCCCCOCC(COP(O)(=O)OCCN)OC(=O)C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
