| SpectraBase Spectrum ID |
APKqHHIWmur |
| Name |
HexCer 14:2;3O/14:1;(2OH) |
| Classification |
Sphingolipids [SP] |
| Comments |
Hexosylceramide alpha-hydroxy fatty acid-phytospingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
643.429547158 u |
| Formula |
C34H61NO10 |
| InChI |
InChI=1S/C34H61NO10/c1-3-5-7-9-11-13-14-16-18-20-22-27(38)33(43)35-25(24-44-34-32(42)31(41)30(40)28(23-36)45-34)29(39)26(37)21-19-17-15-12-10-8-6-4-2/h4,6,9,11-12,15,25-32,34,36-42H,3,5,7-8,10,13-14,16-24H2,1-2H3,(H,35,43)/b6-4+,11-9-,15-12+ |
| InChIKey |
ZJWGMGLRNZGVAQ-DPEOXIBPNA-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+CH3COO]- |
| SMILES |
CCCC\C=C/CCCCCCC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)C(O)CCC\C=C\CC\C=C\C |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
