| SpectraBase Spectrum ID |
7I3apcODijW |
| Name |
TG 10:0_18:5_26:1 |
| Classification |
Glycerolipids [GL] |
| Comments |
Triacylglyceride |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
878.736340870 u |
| Formula |
C57H98O6 |
| InChI |
InChI=1S/C57H98O6/c1-4-7-10-13-16-18-20-22-24-25-26-27-28-29-30-31-33-34-36-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-15-12-9-6-3)63-57(60)51-48-45-42-39-37-35-32-23-21-19-17-14-11-8-5-2/h8,11,17,19,23,25-26,32,37,39,45,48,54H,4-7,9-10,12-16,18,20-22,24,27-31,33-36,38,40-44,46-47,49-53H2,1-3H3/b11-8-,19-17-,26-25-,32-23-,39-37-,48-45- |
| InChIKey |
OEHTXFOIYRLZAS-JWLYXMAENA-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+Na]+ |
| SMILES |
CCCCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)OC(=O)C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
