SpectraBase Compound ID | EZKFL0w4M7K |
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InChI | InChI=1S/C28H53NO5/c1-3-5-6-7-8-9-10-11-12-13-14-15-19-23-28(33)34-25(20-4-2)21-17-16-18-22-26(30)29-24-27(31)32/h25H,3-24H2,1-2H3,(H,29,30)(H,31,32) |
InChIKey | ZJXVKAQTDOZUQO-UHFFFAOYNA-N |
Mol Weight | 483.7 g/mol |
Molecular Formula | C28H53NO5 |
Exact Mass | 483.392374 g/mol |
SpectraBase Spectrum ID | Bf5pbBLaA1m |
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Name | NAGly 16:0/10:0 |
Classification | Fatty acyls [FA] |
Comments | N-acyl glycine |
Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 483.392373806 u |
Formula | C28H53NO5 |
InChI | InChI=1S/C28H53NO5/c1-3-5-6-7-8-9-10-11-12-13-14-15-19-23-28(33)34-25(20-4-2)21-17-16-18-22-26(30)29-24-27(31)32/h25H,3-24H2,1-2H3,(H,29,30)(H,31,32) |
InChIKey | ZJXVKAQTDOZUQO-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+NH4]+ |
SMILES | OC(=O)CN%20.CCCC%10CCCCCC(=O)%20.CCCCCCCCCCCCCCCC(=O)O%10 |
Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |