| SpectraBase Spectrum ID |
1oS0whg36Gb |
| Name |
DG O-17:2_18:5 |
| Classification |
Glycerolipids [GL] |
| Comments |
Ether-linked diacylglycerol |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
582.464810472 u |
| Formula |
C38H62O4 |
| InChI |
InChI=1S/C38H62O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)42-37(35-39)36-41-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,10-13,16-19,23,25,29,31,37,39H,3-4,6,8-9,14-15,20-22,24,26-28,30,32-36H2,1-2H3/b7-5-,12-10-,13-11-,18-16-,19-17-,25-23-,31-29- |
| InChIKey |
PFAXTUDMPYMFBS-AEJNCSOHNA-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 |
CCCC\C=C/C\C=C/CCCCCCCCOCC(CO)OC(=O)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 |
