| SpectraBase Spectrum ID |
GSvy2yr5nsZ |
| Name |
DGTS 10:0_18:5 |
| Classification |
Glycerolipids [GL] |
| Comments |
Diacylglyceryltrimethylhomo-Ser |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
645.460453366 u |
| Formula |
C38H63NO7 |
| InChI |
InChI=1S/C38H63NO7/c1-6-8-10-12-14-15-16-17-18-19-20-21-23-25-27-29-37(41)46-34(32-44-31-30-35(38(42)43)39(3,4)5)33-45-36(40)28-26-24-22-13-11-9-7-2/h8,10,14-15,17-18,20-21,25,27,34-35H,6-7,9,11-13,16,19,22-24,26,28-33H2,1-5H3/b10-8-,15-14-,18-17-,21-20-,27-25- |
| InChIKey |
HRCRUNNXCZNIIT-BZXDRJHLNA-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 |
CCCCCCCCCC(=O)OCC(COCCC(C([O-])=O)[N+](C)(C)C)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 |
