| SpectraBase Compound ID | BJR09RXonvo |
|---|---|
| InChI | InChI=1S/C51H90O15P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-51(56)62-42-48(53)44-64-68(59,60)66-46-49(54)45-65-67(57,58)63-43-47(52)41-61-50(55)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,24,26,30,32,47-49,52-54H,3-4,6,8-10,12,14-16,18,20,23,25,27-29,31,33-46H2,1-2H3,(H,57,58)(H,59,60)/b7-5-,13-11-,19-17-,22-21-,26-24-,32-30- |
| InChIKey | XOTDXCICIVYPQR-YKPVOZFUNA-N |
| Mol Weight | 1005.2 g/mol |
| Molecular Formula | C51H90O15P2 |
| Exact Mass | 1004.575496 g/mol |
Mass Spectrum (LC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 7UKLBxHq3AC |
|---|---|
| Name | DLCL 18:0_24:6 |
| Classification | Glycerophospholipids [GP] |
| Comments | Dilysocardiolipin |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 1004.575496179 u |
| Formula | C51H90O15P2 |
| InChI | InChI=1S/C51H90O15P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-51(56)62-42-48(53)44-64-68(59,60)66-46-49(54)45-65-67(57,58)63-43-47(52)41-61-50(55)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,24,26,30,32,47-49,52-54H,3-4,6,8-10,12,14-16,18,20,23,25,27-29,31,33-46H2,1-2H3,(H,57,58)(H,59,60)/b7-5-,13-11-,19-17-,22-21-,26-24-,32-30- |
| InChIKey | XOTDXCICIVYPQR-YKPVOZFUNA-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 | CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(O)(=O)OCC(O)COP(O)(=O)OCC(O)COC(=O)CCCC\C=C/C\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 |