| SpectraBase Spectrum ID |
BqHcgIuNBbU |
| Name |
Hex2Cer 16:3;2O |
| Classification |
Sphingolipids [SP] |
| Comments |
Dihexosylceramide |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
605.304740564 u |
| Formula |
C28H47NO13 |
| InChI |
InChI=1S/C28H47NO13/c1-3-4-5-6-7-8-9-10-11-12-18(33)17(29-16(2)32)15-39-27-25(38)23(36)26(20(14-31)41-27)42-28-24(37)22(35)21(34)19(13-30)40-28/h3-4,7-8,11-12,17-28,30-31,33-38H,5-6,9-10,13-15H2,1-2H3,(H,29,32)/b4-3+,8-7+,12-11+ |
| InChIKey |
QKBOSTREXYDOBD-IRYJESCPNA-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 |
C\C=C\CC\C=C\CC\C=C\C(O)C(COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)NC(C)=O |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
