| SpectraBase Spectrum ID |
8Tr06jg9313 |
| Name |
DLCL 14:1_14:1 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
Dilysocardiolipin |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
816.418995535 u |
| Formula |
C37H70O15P2 |
| InChI |
InChI=1S/C37H70O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-36(41)47-27-33(38)29-49-53(43,44)51-31-35(40)32-52-54(45,46)50-30-34(39)28-48-37(42)26-24-22-20-18-16-14-12-10-8-6-4-2/h9-12,33-35,38-40H,3-8,13-32H2,1-2H3,(H,43,44)(H,45,46)/b11-9-,12-10- |
| InChIKey |
OGQQCJSZOLOQGU-HWAYABPNNA-N |
| Ion Polarity |
N |
| 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 |
CCCC\C=C/CCCCCCCC(=O)OCC(O)COP(O)(=O)OCC(O)COP(O)(=O)OCC(O)COC(=O)CCCCCCC\C=C/CCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
