For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
PC O-27:0_8:0
SpectraBase Compound ID DBhm9XrLpyc
InChI InChI=1S/C43H88NO7P/c1-6-8-10-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-35-38-48-40-42(51-43(45)36-34-32-11-9-7-2)41-50-52(46,47)49-39-37-44(3,4)5/h42H,6-41H2,1-5H3
InChIKey YDWJXHJJECRYTD-UHFFFAOYNA-N
Mol Weight 762.2 g/mol
Molecular Formula C43H88NO7P
Exact Mass 761.629841 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 9VpmVQfwgLa
Name PC O-27:0_8:0
Classification Glycerophospholipids [GP]
Comments Ether-linked phosphatidylcholine
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 761.629841169 u
Formula C43H88NO7P
InChI InChI=1S/C43H88NO7P/c1-6-8-10-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-35-38-48-40-42(51-43(45)36-34-32-11-9-7-2)41-50-52(46,47)49-39-37-44(3,4)5/h42H,6-41H2,1-5H3
InChIKey YDWJXHJJECRYTD-UHFFFAOYNA-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+HCOO]-
SMILES CCCCCCCCCCCCCCCCCCCCCCCCCCCOCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES