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NAGlySer 10:0/16:1
SpectraBase Compound ID AZmo5qHFqKL
InChI InChI=1S/C31H56N2O7/c1-3-5-7-9-11-13-19-23-30(37)40-26(20-16-12-10-8-6-4-2)21-17-14-15-18-22-28(35)32-24-29(36)33-27(25-34)31(38)39/h16,20,26-27,34H,3-15,17-19,21-25H2,1-2H3,(H,32,35)(H,33,36)(H,38,39)/b20-16-
InChIKey MKIHRDPOLLILAC-SILNSSARNA-N
Mol Weight 568.8 g/mol
Molecular Formula C31H56N2O7
Exact Mass 568.408752 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID BzD08zwMnTs
Name NAGlySer 10:0/16:1
Classification Fatty acyls [FA]
Comments N-acyl glycyl serine
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 568.408752144 u
Formula C31H56N2O7
InChI InChI=1S/C31H56N2O7/c1-3-5-7-9-11-13-19-23-30(37)40-26(20-16-12-10-8-6-4-2)21-17-14-15-18-22-28(35)32-24-29(36)33-27(25-34)31(38)39/h16,20,26-27,34H,3-15,17-19,21-25H2,1-2H3,(H,32,35)(H,33,36)(H,38,39)/b20-16-
InChIKey MKIHRDPOLLILAC-SILNSSARNA-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 CCCCCCCCCC(=O)OC(CCCCCCC(=O)NCC(=O)NC(CO)C(O)=O)\C=C/CCCCCC
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES