| SpectraBase Spectrum ID |
8GvCRG2AlM6 |
| Name |
DGTS 2:0_22:5 |
| Classification |
Glycerolipids [GL] |
| Comments |
Diacylglyceryltrimethylhomo-Ser |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
589.397853108 u |
| Formula |
C34H55NO7 |
| InChI |
InChI=1S/C34H55NO7/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-33(37)42-31(29-41-30(2)36)28-40-27-26-32(34(38)39)35(3,4)5/h7-8,10-11,13-14,16-17,19-20,31-32H,6,9,12,15,18,21-29H2,1-5H3/b8-7-,11-10-,14-13-,17-16-,20-19- |
| InChIKey |
YSFOJEWHPJQWKA-NEUKSRIFNA-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/C\C=C/CCCCCC(=O)OC(COCCC(C([O-])=O)[N+](C)(C)C)COC(C)=O |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
