| SpectraBase Spectrum ID |
KmSUUC5L3pp |
| Name |
Hex2Cer 24:5;2O |
| Classification |
Sphingolipids [SP] |
| Comments |
Dihexosylceramide |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
713.398640951 u |
| Formula |
C36H59NO13 |
| InChI |
InChI=1S/C36H59NO13/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-20-28(41)37-24(25(40)19-17-6-4-2)23-47-35-33(46)31(44)34(27(22-39)49-35)50-36-32(45)30(43)29(42)26(21-38)48-36/h5,7,9-10,12-13,15-17,19,24-27,29-36,38-40,42-46H,3-4,6,8,11,14,18,20-23H2,1-2H3,(H,37,41)/b7-5-,10-9-,13-12-,16-15-,19-17+ |
| InChIKey |
DJHDXLRIWPCWEX-ZPTGDVRINA-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 |
CCC\C=C\C(O)C(COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)NC(=O)CC\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 |
