| SpectraBase Spectrum ID |
Ltxq8ss9ZKI |
| Name |
PE 35:0_38:1 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
Phosphatidylethanolamine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1264.141207913 u |
| Formula |
C78H154NO8P |
| InChI |
InChI=1S/C78H154NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-38-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-78(81)87-76(75-86-88(82,83)85-73-72-79)74-84-77(80)70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h21,23,76H,3-20,22,24-75,79H2,1-2H3,(H,82,83)/b23-21- |
| InChIKey |
KPYLHULROVJMEW-LNVKXUELNA-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 |
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC\C=C/CCCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
