SpectraBase Compound ID | CR7AMjdbk1V |
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InChI | InChI=1S/C18H37NO3/c1-3-5-7-9-11-13-17(21)16(15-20)19-18(22)14-12-10-8-6-4-2/h16-17,20-21H,3-15H2,1-2H3,(H,19,22) |
InChIKey | ATMJXMQMTJDDDS-UHFFFAOYNA-N |
Mol Weight | 315.5 g/mol |
Molecular Formula | C18H37NO3 |
Exact Mass | 315.277344 g/mol |
SpectraBase Spectrum ID | 2kyVA2gR5xZ |
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Name | Cer 10:0;2O/8:0 |
Classification | Sphingolipids [SP] |
Comments | Ceramide non-hydroxyfatty acid-dihydrosphingosine |
Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 315.277344052 u |
Formula | C18H37NO3 |
InChI | InChI=1S/C18H37NO3/c1-3-5-7-9-11-13-17(21)16(15-20)19-18(22)14-12-10-8-6-4-2/h16-17,20-21H,3-15H2,1-2H3,(H,19,22) |
InChIKey | ATMJXMQMTJDDDS-UHFFFAOYNA-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+HCOO]- |
SMILES | CCCCCCCC(O)C(CO)NC(=O)CCCCCCC |
Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |