| SpectraBase Spectrum ID |
K1UmS3URhvD |
| Name |
HexCer 19:2;3O/14:1;(2OH) |
| Classification |
Sphingolipids [SP] |
| Comments |
Hexosylceramide alpha-hydroxy fatty acid-phytospingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
713.507797480 u |
| Formula |
C39H71NO10 |
| InChI |
InChI=1S/C39H71NO10/c1-3-5-7-9-11-13-15-16-17-19-20-22-24-26-31(42)34(44)30(29-49-39-37(47)36(46)35(45)33(28-41)50-39)40-38(48)32(43)27-25-23-21-18-14-12-10-8-6-4-2/h10,12-13,15,19-20,30-37,39,41-47H,3-9,11,14,16-18,21-29H2,1-2H3,(H,40,48)/b12-10-,15-13+,20-19+ |
| InChIKey |
WDMOYNYVLZYGRQ-KZBAUYEKNA-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 |
CCCCCC\C=C\CC\C=C\CCCC(O)C(O)C(COC1OC(CO)C(O)C(O)C1O)NC(=O)C(O)CCCCCC\C=C/CCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
