SpectraBase Spectrum ID |
4QDyYH8RTSr |
Name |
DG 26:0_16:4 |
Classification |
Glycerolipids [GL] |
Comments |
Diacylglycerol |
Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
700.600575671 u |
Formula |
C45H80O5 |
InChI |
InChI=1S/C45H80O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-27-16-14-12-10-8-6-4-2/h6,8,12,14,27,30,34,36,43,46H,3-5,7,9-11,13,15-26,28-29,31-33,35,37-42H2,1-2H3/b8-6-,14-12-,30-27-,36-34- |
InChIKey |
VYZXNRJXVXQRFC-YRSYZEQANA-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 |
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CC\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 |