| SpectraBase Compound ID | Gs6hdDbnksO |
|---|---|
| InChI | InChI=1S/C55H92O15P2/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/h6,8,10-14,16-20,22,25,27,29,31,33,51-53,56-58H,3-5,7,9,15,21,23-24,26,28,30,32,34-50H2,1-2H3,(H,61,62)(H,63,64)/b8-6+,12-10+,13-11-,16-14-,19-17-,20-18+,25-22+,29-27+,33-31+ |
| InChIKey | HKJVXJPOOUCLEZ-BWUXGTPHNA-N |
| Mol Weight | 1055.3 g/mol |
| Molecular Formula | C55H92O15P2 |
| Exact Mass | 1054.591146 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | KXARgzzHxlb |
|---|---|
| Name | DLCL 24:2_22:7 |
| Classification | Glycerophospholipids [GP] |
| Comments | Dilysocardiolipin |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 1054.591146243 u |
| Formula | C55H92O15P2 |
| InChI | InChI=1S/C55H92O15P2/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/h6,8,10-14,16-20,22,25,27,29,31,33,51-53,56-58H,3-5,7,9,15,21,23-24,26,28,30,32,34-50H2,1-2H3,(H,61,62)(H,63,64)/b8-6+,12-10+,13-11-,16-14-,19-17-,20-18+,25-22+,29-27+,33-31+ |
| InChIKey | HKJVXJPOOUCLEZ-BWUXGTPHNA-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 | CCCCC\C=C/C\C=C/CCCCCCCCCCCCCC(=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 |