| SpectraBase Spectrum ID |
1K5UA8zIvF1 |
| Name |
LDGTS 24:4 |
| Classification |
Glycerolipids [GL] |
| Comments |
Lysodiacylglyceryl trimethylhomoserine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
577.434238618 u |
| Formula |
C34H59NO6 |
| InChI |
InChI=1S/C34H59NO6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-33(37)41-30-31(36)29-40-28-27-32(34(38)39)35(2,3)4/h6-7,9-10,12-13,15-16,31-32,36H,5,8,11,14,17-30H2,1-4H3/b7-6-,10-9-,13-12-,16-15- |
| InChIKey |
GIFDLWMEAGGKNM-DOFZRALJNA-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/CCCCCCCCCCC(=O)OCC(O)COCCC(C([O-])=O)[N+](C)(C)C |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
