| SpectraBase Spectrum ID |
9Wlq4JAc3X0 |
| Name |
DGTS 7:0_22:4 |
| Classification |
Glycerolipids [GL] |
| Comments |
Diacylglyceryltrimethylhomo-Ser |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
661.491753494 u |
| Formula |
C39H67NO7 |
| InChI |
InChI=1S/C39H67NO7/c1-6-8-10-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-30-38(42)47-35(34-46-37(41)29-27-11-9-7-2)33-45-32-31-36(39(43)44)40(3,4)5/h8,10,13-14,16-17,19-20,35-36H,6-7,9,11-12,15,18,21-34H2,1-5H3/b10-8-,14-13-,17-16-,20-19- |
| InChIKey |
QYEPBAMOUYFTJA-KEXYTUSZNA-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 |
CCCCCCC(=O)OCC(COCCC(C([O-])=O)[N+](C)(C)C)OC(=O)CCCCCCCC\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 |
