| SpectraBase Spectrum ID |
IrOKxMn6K4 |
| Name |
PE O-10:0_16:3 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
Ether-linked phosphatidylethanolamine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
587.395090203 u |
| Formula |
C31H58NO7P |
| InChI |
InChI=1S/C31H58NO7P/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-31(33)39-30(29-38-40(34,35)37-27-25-32)28-36-26-23-21-19-12-10-8-6-4-2/h5,7,11,13,15-16,30H,3-4,6,8-10,12,14,17-29,32H2,1-2H3,(H,34,35)/b7-5-,13-11-,16-15- |
| InChIKey |
GKQBIMBNNYZOHL-DBRBFSQJNA-N |
| Ion Polarity |
P |
| 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 |
CCCCCCCCCCOCC(COP(O)(=O)OCCN)OC(=O)CCCCC\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 |
