| SpectraBase Spectrum ID |
4JBeZD95BJD |
| Name |
TG 10:0_26:1_30:3 |
| Classification |
Glycerolipids [GL] |
| Comments |
Triacylglyceride |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1050.955441771 u |
| Formula |
C69H126O6 |
| InChI |
InChI=1S/C69H126O6/c1-4-7-10-13-16-18-20-22-24-26-28-30-32-33-34-35-37-38-40-42-44-46-48-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-15-12-9-6-3)75-69(72)63-60-57-54-51-49-47-45-43-41-39-36-31-29-27-25-23-21-19-17-14-11-8-5-2/h20,22,26-29,32-33,66H,4-19,21,23-25,30-31,34-65H2,1-3H3/b22-20-,28-26-,29-27-,33-32- |
| InChIKey |
MMFZEQZTMCPMLL-RFXZCBPXNA-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/CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCCC\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 |
