| SpectraBase Spectrum ID |
5iEbYV3iPl9 |
| Name |
HexCer 19:1;2O/12:1;O |
| Classification |
Sphingolipids [SP] |
| Comments |
Hexosylceramide hydroxyfatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
671.497232797 u |
| Formula |
C37H69NO9 |
| InChI |
InChI=1S/C37H69NO9/c1-3-5-7-9-11-13-14-15-16-17-18-20-21-23-25-30(40)29(28-46-37-35(44)34(43)33(42)32(27-39)47-37)38-36(45)31(41)26-24-22-19-12-10-8-6-4-2/h19,22-23,25,29-35,37,39-44H,3-18,20-21,24,26-28H2,1-2H3,(H,38,45)/b22-19-,25-23+ |
| InChIKey |
RFPJIBYLTJZTFX-CQLQFQEPNA-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 |
CCCCCCCCCCCCCC\C=C\C(O)C(COC1OC(CO)C(O)C(O)C1O)NC(=O)C(O)CC\C=C/CCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
