| SpectraBase Spectrum ID |
2eYQKCJ9bxX |
| Name |
DLCL 16:5_20:5 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
Dilysocardiolipin |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
912.418995535 u |
| Formula |
C45H70O15P2 |
| InChI |
InChI=1S/C45H70O15P2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-45(50)56-36-42(47)38-58-62(53,54)60-40-43(48)39-59-61(51,52)57-37-41(46)35-55-44(49)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h5-8,10-14,16-18,20-23,25-28,41-43,46-48H,3-4,9,15,19,24,29-40H2,1-2H3,(H,51,52)(H,53,54)/b7-5-,8-6+,12-10+,13-11-,16-14-,18-17-,22-20-,23-21-,27-25+,28-26- |
| InChIKey |
LKMUNSVFBLNMAA-XVUNYLMFNA-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 |
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC(O)COP(O)(=O)OCC(O)COP(O)(=O)OCC(O)COC(=O)CCC\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 |
