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PE O-12:0_2:0
SpectraBase Compound ID 6u29AqIdULI
InChI InChI=1S/C19H40NO7P/c1-3-4-5-6-7-8-9-10-11-12-14-24-16-19(27-18(2)21)17-26-28(22,23)25-15-13-20/h19H,3-17,20H2,1-2H3,(H,22,23)
InChIKey PVAXBYYKYLLOKY-UHFFFAOYNA-N
Mol Weight 425.5 g/mol
Molecular Formula C19H40NO7P
Exact Mass 425.25424 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID BZYY0SLgsKW
Name PE O-12:0_2:0
Classification Glycerophospholipids [GP]
Comments Ether-linked phosphatidylethanolamine
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 425.254239623 u
Formula C19H40NO7P
InChI InChI=1S/C19H40NO7P/c1-3-4-5-6-7-8-9-10-11-12-14-24-16-19(27-18(2)21)17-26-28(22,23)25-15-13-20/h19H,3-17,20H2,1-2H3,(H,22,23)
InChIKey PVAXBYYKYLLOKY-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 CCCCCCCCCCCCOCC(COP(O)(=O)OCCN)OC(C)=O
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES