| SpectraBase Spectrum ID |
LqZXurPMNXc |
| Name |
DLCL 18:4_16:5 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
Dilysocardiolipin |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
886.403345471 u |
| Formula |
C43H68O15P2 |
| InChI |
InChI=1S/C43H68O15P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-43(48)54-34-40(45)36-56-60(51,52)58-38-41(46)37-57-59(49,50)55-35-39(44)33-53-42(47)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h5-19,21,23,25,39-41,44-46H,3-4,20,22,24,26-38H2,1-2H3,(H,49,50)(H,51,52)/b7-5+,8-6+,11-9+,12-10+,15-13+,16-14-,18-17-,21-19-,25-23+ |
| InChIKey |
IWPGUPNVNNAEAS-FYJFMHAJNA-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/CCCCCCCC(=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 |
