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LNAPS 19:2/N-9:0
SpectraBase Compound ID LohqLxsAJo3
InChI InChI=1S/C34H62NO10P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-33(38)43-27-30(36)28-44-46(41,42)45-29-31(34(39)40)35-32(37)25-23-21-10-8-6-4-2/h12-13,15-16,30-31,36H,3-11,14,17-29H2,1-2H3,(H,35,37)(H,39,40)(H,41,42)/b13-12-,16-15-
InChIKey RTOZROQMOBGVEV-QGLGPCELNA-N
Mol Weight 675.8 g/mol
Molecular Formula C34H62NO10P
Exact Mass 675.411134 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID JIL61IMGvsF
Name LNAPS 19:2/N-9:0
Classification Glycerophosphoserines [GP03]
Comments N-acyl-lysophosphatidylserine
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 675.411134188 u
Formula C34H62NO10P
InChI InChI=1S/C34H62NO10P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-33(38)43-27-30(36)28-44-46(41,42)45-29-31(34(39)40)35-32(37)25-23-21-10-8-6-4-2/h12-13,15-16,30-31,36H,3-11,14,17-29H2,1-2H3,(H,35,37)(H,39,40)(H,41,42)/b13-12-,16-15-
InChIKey RTOZROQMOBGVEV-QGLGPCELNA-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 CCCCCCCCC(=O)NC(COP(O)(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC)C(O)=O
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES