| SpectraBase Spectrum ID |
6DbRj36fXTA |
| Name |
DLCL 24:6_22:7 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
Dilysocardiolipin |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1046.528545986 u |
| Formula |
C55H84O15P2 |
| InChI |
InChI=1S/C55H84O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-55(60)66-46-52(57)48-68-72(63,64)70-50-53(58)49-69-71(61,62)67-47-51(56)45-65-54(59)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h5-8,10-14,16-20,22-25,27-31,33-34,36,51-53,56-58H,3-4,9,15,21,26,32,35,37-50H2,1-2H3,(H,61,62)(H,63,64)/b7-5-,8-6+,12-10+,13-11-,16-14-,19-17-,20-18+,24-23-,25-22+,29-27+,30-28-,33-31+,36-34- |
| InChIKey |
LTFVLNXSASHFQN-WBFXWLCRNA-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/C\C=C/CCCCC(=O)OCC(O)COP(O)(=O)OCC(O)COP(O)(=O)OCC(O)COC(=O)CCCCC\C=C\C=C\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 |
