| SpectraBase Spectrum ID |
L2o0xh7pJSo |
| Name |
TG 14:0_20:0_26:6 |
| Classification |
Glycerolipids [GL] |
| Comments |
Triacylglyceride |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
962.830241256 u |
| Formula |
C63H110O6 |
| InChI |
InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-33-35-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-34-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,29-30,32-33,36,38,60H,4-6,8-9,11-15,17-18,20-23,25,27-28,31,34-35,37,39-59H2,1-3H3/b10-7-,19-16-,26-24-,30-29-,33-32-,38-36- |
| InChIKey |
KUKAXCMPXIXFBA-QNEJXYPUNA-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 |
CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCC\C=C/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 |
