| SpectraBase Spectrum ID |
CiMkwngSH8g |
| Name |
DGTS 26:4_22:6 |
| Classification |
Glycerolipids [GL] |
| Comments |
Diacylglyceryltrimethylhomo-Ser |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
915.695204332 u |
| Formula |
C58H93NO7 |
| InChI |
InChI=1S/C58H93NO7/c1-6-8-10-12-14-16-18-20-22-24-26-27-28-29-31-32-34-36-38-40-42-44-46-48-56(60)65-53-54(52-64-51-50-55(58(62)63)59(3,4)5)66-57(61)49-47-45-43-41-39-37-35-33-30-25-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,26-27,30,33,37,39,43,45,54-55H,6-7,12-13,18-19,24-25,28-29,31-32,34-36,38,40-42,44,46-53H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,27-26-,33-30-,39-37-,45-43- |
| InChIKey |
RKXFLMTVWQKCBD-RSUKWJKHNA-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+H]+ |
| SMILES |
CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCC(=O)OCC(COCCC(C([O-])=O)[N+](C)(C)C)OC(=O)CC\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 |
