SpectraBase Spectrum ID |
85tkpTzIl8M |
Name |
DLCL 14:1_18:3 |
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/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-41(46)52-32-38(43)34-54-58(49,50)56-36-39(44)35-55-57(47,48)53-33-37(42)31-51-40(45)29-27-25-23-21-19-14-12-10-8-6-4-2/h5,7,9-13,15,37-39,42-44H,3-4,6,8,14,16-36H2,1-2H3,(H,47,48)(H,49,50)/b7-5+,11-9+,12-10-,15-13+ |
InChIKey |
ONYSSCBQSMKEFG-CLAVOTCVNA-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)CCCCCCCCC\C=C\C=C\C=C\CC |
Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |