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DGTS 7:0_13:1
SpectraBase Compound ID CmFlW5ASwwg
InChI InChI=1S/C30H55NO7/c1-6-8-10-12-13-14-15-16-17-19-21-29(33)38-26(25-37-28(32)20-18-11-9-7-2)24-36-23-22-27(30(34)35)31(3,4)5/h10,12,26-27H,6-9,11,13-25H2,1-5H3/b12-10-
InChIKey DCZJNASJJDZXLA-BENRWUELNA-N
Mol Weight 541.8 g/mol
Molecular Formula C30H55NO7
Exact Mass 541.397853 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 5PcXvBJP9mX
Name DGTS 7:0_13:1
Classification Glycerolipids [GL]
Comments Diacylglyceryltrimethylhomo-Ser
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 541.397853108 u
Formula C30H55NO7
InChI InChI=1S/C30H55NO7/c1-6-8-10-12-13-14-15-16-17-19-21-29(33)38-26(25-37-28(32)20-18-11-9-7-2)24-36-23-22-27(30(34)35)31(3,4)5/h10,12,26-27H,6-9,11,13-25H2,1-5H3/b12-10-
InChIKey DCZJNASJJDZXLA-BENRWUELNA-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 CCCCCCC(=O)OCC(COCCC(C([O-])=O)[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCC
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES