SpectraBase Compound ID | 8XHQgL354UH |
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InChI | InChI=1S/C22H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)26-20-21(24)19-23/h10-11,21,23-24H,2-9,12-20H2,1H3/b11-10- |
InChIKey | CLTAYRNXRFFCQC-KHPPLWFENA-N |
Mol Weight | 370.6 g/mol |
Molecular Formula | C22H42O4 |
Exact Mass | 370.30831 g/mol |
SpectraBase Spectrum ID | 7F56Iu6f60W |
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Name | MG 19:1 |
Classification | Glycerolipids [GL] |
Comments | Monoacylglycerol |
Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 370.308309828 u |
Formula | C22H42O4 |
InChI | InChI=1S/C22H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)26-20-21(24)19-23/h10-11,21,23-24H,2-9,12-20H2,1H3/b11-10- |
InChIKey | CLTAYRNXRFFCQC-KHPPLWFENA-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 | CCCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)CO |
Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |