| SpectraBase Spectrum ID |
6VE1Ybldicm |
| Name |
SL 23:0;O/22:2;O |
| Classification |
Sphingolipids [SP] |
| Comments |
Sulfonolipid |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
769.625410693 u |
| Formula |
C45H87NO6S |
| InChI |
InChI=1S/C45H87NO6S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-43(47)42(41-53(50,51)52)46-45(49)44(48)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,16,18,42-44,47-48H,3-11,13,15,17,19-41H2,1-2H3,(H,46,49)(H,50,51,52)/b14-12-,18-16- |
| InChIKey |
QBHLSIJVUXXNSE-LLNQCXAONA-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 |
CCCCCCCCCCCCCCCCCCCCC(O)C(CS(O)(=O)=O)NC(=O)C(O)CCCCCCCCCCC\C=C/C=C\CCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
