| SpectraBase Spectrum ID |
3FWcfgnPLvE |
| Name |
TG 10:0_24:1_34:3 |
| Classification |
Glycerolipids [GL] |
| Comments |
Triacylglyceride |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1078.986741900 u |
| Formula |
C71H130O6 |
| InChI |
InChI=1S/C71H130O6/c1-4-7-10-13-16-18-20-22-24-26-28-30-31-32-33-34-35-36-37-38-39-41-42-44-46-48-50-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-15-12-9-6-3)77-71(74)65-62-59-56-53-51-49-47-45-43-40-29-27-25-23-21-19-17-14-11-8-5-2/h20,22,26-29,31-32,68H,4-19,21,23-25,30,33-67H2,1-3H3/b22-20-,28-26-,29-27-,32-31- |
| InChIKey |
XHVXSRQKUWUFJG-ILNWICKVNA-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+NH4]+ |
| SMILES |
CCCCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC\C=C/C\C=C/C\C=C/CCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
