| SpectraBase Spectrum ID |
ADg3JDeZrPU |
| Name |
HexCer 38:3;2O/20:2 |
| Classification |
Sphingolipids [SP] |
| Comments |
Hexosylceramide non-hydroxyfatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1027.877919723 u |
| Formula |
C64H117NO8 |
| InChI |
InChI=1S/C64H117NO8/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-39-41-43-45-47-49-51-53-58(67)57(56-72-64-63(71)62(70)61(69)59(55-66)73-64)65-60(68)54-52-50-48-46-44-42-40-37-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,36,38,43,45,51,53,57-59,61-64,66-67,69-71H,3-11,13,15-17,19,21-35,37,39-42,44,46-50,52,54-56H2,1-2H3,(H,65,68)/b14-12-,20-18-,38-36+,45-43+,53-51+ |
| InChIKey |
HFZZBSMLXSGBJY-JBVGPOMVNA-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+HCOO]- |
| SMILES |
CCCCCCCCCCCCCCCCCCCCCCCCC\C=C\CC\C=C\CC\C=C\C(O)C(COC1OC(CO)C(O)C(O)C1O)NC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
