| SpectraBase Spectrum ID |
ET0P0G48mT8 |
| Name |
TG 10:0_21:2_36:0 |
| Classification |
Glycerolipids [GL] |
| Comments |
Triacylglyceride |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1069.002391964 u |
| Formula |
C70H132O6 |
| InChI |
InChI=1S/C70H132O6/c1-4-7-10-13-16-18-20-22-24-26-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-44-45-47-49-51-54-57-60-63-69(72)75-66-67(65-74-68(71)62-59-56-53-15-12-9-6-3)76-70(73)64-61-58-55-52-50-48-46-43-27-25-23-21-19-17-14-11-8-5-2/h19,21,25,27,67H,4-18,20,22-24,26,28-66H2,1-3H3/b21-19-,27-25- |
| InChIKey |
BSKYTTRYZOXBEH-YNYOFIIJNA-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 |
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
