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PS 2:0_22:6

View entire compound with spectra: 3 MS (LC)

PS 2:0_22:6
SpectraBase Compound ID DUcPrVpIuRR
InChI InChI=1S/C30H46NO10P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-29(33)41-27(23-38-26(2)32)24-39-42(36,37)40-25-28(31)30(34)35/h4-5,7-8,10-11,13-14,16-17,19-20,27-28H,3,6,9,12,15,18,21-25,31H2,1-2H3,(H,34,35)(H,36,37)/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-
InChIKey ITBBFBHJLQMVJX-JDPCYWKWNA-N
Mol Weight 611.7 g/mol
Molecular Formula C30H46NO10P
Exact Mass 611.285934 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 8gGapXl3jIh
Name PS 2:0_22:6
Classification Glycerophospholipids [GP]
Comments Phosphatidylserine
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 611.285933673 u
Formula C30H46NO10P
InChI InChI=1S/C30H46NO10P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-29(33)41-27(23-38-26(2)32)24-39-42(36,37)40-25-28(31)30(34)35/h4-5,7-8,10-11,13-14,16-17,19-20,27-28H,3,6,9,12,15,18,21-25,31H2,1-2H3,(H,34,35)(H,36,37)/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-
InChIKey ITBBFBHJLQMVJX-JDPCYWKWNA-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 CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC(COC(C)=O)COP(O)(=O)OCC(N)C(O)=O
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES