SpectraBase Spectrum ID |
3PR9t5ORudS |
Name |
DG 37:0_20:2 |
Classification |
Glycerolipids [GL] |
Comments |
Diacylglycerol |
Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
914.866626766 u |
Formula |
C60H114O5 |
InChI |
InChI=1S/C60H114O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-40-42-44-46-48-50-52-54-59(62)64-57-58(56-61)65-60(63)55-53-51-49-47-45-43-41-38-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,58,61H,3-11,13,15-17,19,21-57H2,1-2H3/b14-12-,20-18- |
InChIKey |
CVRQKBRQAQUHAX-MLWYYCKJNA-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 |
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC |
Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |