| SpectraBase Spectrum ID |
8PqDbCdDLez |
| Name |
DLCL 16:2_16:2 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
Dilysocardiolipin |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
868.450295664 u |
| Formula |
C41H74O15P2 |
| InChI |
InChI=1S/C41H74O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-40(45)51-31-37(42)33-53-57(47,48)55-35-39(44)36-56-58(49,50)54-34-38(43)32-52-41(46)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,23-26,37-39,42-44H,3-16,21-22,27-36H2,1-2H3,(H,47,48)(H,49,50)/b19-17-,20-18-,25-23+,26-24+ |
| InChIKey |
NBTXYRPBUMNLHA-DPETUUFQNA-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 |
CCCCCCCC\C=C/C\C=C\CCC(=O)OCC(O)COP(O)(=O)OCC(O)COP(O)(=O)OCC(O)COC(=O)CC\C=C\C\C=C/CCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
