| SpectraBase Spectrum ID |
KtN5MdcznFl |
| Name |
HexCer 15:0;3O/12:1;(2OH) |
| Classification |
Sphingolipids [SP] |
| Comments |
Hexosylceramide alpha-hydroxy fatty acid-phytospingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
633.445197223 u |
| Formula |
C33H63NO10 |
| InChI |
InChI=1S/C33H63NO10/c1-3-5-7-9-11-13-15-16-18-20-25(36)28(38)24(23-43-33-31(41)30(40)29(39)27(22-35)44-33)34-32(42)26(37)21-19-17-14-12-10-8-6-4-2/h14,17,24-31,33,35-41H,3-13,15-16,18-23H2,1-2H3,(H,34,42)/b17-14- |
| InChIKey |
AVYBZQYIWZDDBP-VKAVYKQENA-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-H]- |
| SMILES |
CCCCCCCCCCCC(O)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 |
