| SpectraBase Spectrum ID |
60AO7MPd8gT |
| Name |
DG 36:0_28:2 |
| Classification |
Glycerolipids [GL] |
| Comments |
Diacylglycerol |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1012.976177217 u |
| Formula |
C67H128O5 |
| InChI |
InChI=1S/C67H128O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-31-32-33-34-35-36-38-39-41-43-45-47-49-51-53-55-57-59-61-66(69)71-64-65(63-68)72-67(70)62-60-58-56-54-52-50-48-46-44-42-40-37-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h16,18,22,24,65,68H,3-15,17,19-21,23,25-64H2,1-2H3/b18-16-,24-22- |
| InChIKey |
JSOYZYOBTJJOKV-MYSACRKYNA-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(CO)OC(=O)CCCCCCCCCCCCCCC\C=C/C\C=C/CCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
