| SpectraBase Spectrum ID |
8UV5zKiJyNx |
| Name |
HexCer 9:0;2O/18:5 |
| Classification |
Sphingolipids [SP] |
| Comments |
Hexosylceramide non-hydroxyfatty acid-dihydrosphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
593.392767727 u |
| Formula |
C33H55NO8 |
| InChI |
InChI=1S/C33H55NO8/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-29(37)34-26(27(36)22-20-8-6-4-2)25-41-33-32(40)31(39)30(38)28(24-35)42-33/h5,7,10-11,13-14,16-17,19,21,26-28,30-33,35-36,38-40H,3-4,6,8-9,12,15,18,20,22-25H2,1-2H3,(H,34,37)/b7-5-,11-10-,14-13-,17-16-,21-19- |
| InChIKey |
JAQSYXMQISWDRO-DKXKBYMQNA-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+H]+ |
| SMILES |
CCCCCCC(O)C(COC1OC(CO)C(O)C(O)C1O)NC(=O)C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
