SpectraBase Spectrum ID |
Jxba92JH68s |
Name |
LPE 34:0 |
Classification |
Glycerophospholipids [GP] |
Comments |
Lysophosphatidylethanolamine |
Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
705.567240911 u |
Formula |
C39H80NO7P |
InChI |
InChI=1S/C39H80NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-39(42)45-36-38(41)37-47-48(43,44)46-35-34-40/h38,41H,2-37,40H2,1H3,(H,43,44) |
InChIKey |
AHCQVDWCXDVCBQ-UHFFFAOYNA-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 |
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(O)(=O)OCCN |
Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |