| SpectraBase Compound ID | C3ByqVJ6xHh |
|---|---|
| InChI | InChI=1S/C59H106O7/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-53(60)64-42-52-54(61)55(62)56(63)57(66-52)65-47-37-39-58(6)46(41-47)33-34-48-50-36-35-49(59(50,7)40-38-51(48)58)45(5)32-31-44(4)43(2)3/h33,43-45,47-52,54-57,61-63H,8-32,34-42H2,1-7H3 |
| InChIKey | WNMUWPPURQUCBS-UHFFFAOYNA-N |
| Mol Weight | 927.5 g/mol |
| Molecular Formula | C59H106O7 |
| Exact Mass | 926.793856 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | CHlxQJxFuTu |
|---|---|
| Name | ST 28:1;O;Hex;FA 25:0 |
| Classification | Sterol Lipids [ST] |
| Comments | Acylhexosyl campesterol |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 926.793855746 u |
| Formula | C59H106O7 |
| InChI | InChI=1S/C59H106O7/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-53(60)64-42-52-54(61)55(62)56(63)57(66-52)65-47-37-39-58(6)46(41-47)33-34-48-50-36-35-49(59(50,7)40-38-51(48)58)45(5)32-31-44(4)43(2)3/h33,43-45,47-52,54-57,61-63H,8-32,34-42H2,1-7H3 |
| InChIKey | WNMUWPPURQUCBS-UHFFFAOYNA-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+CH3COO]- |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC1OC(OC2CCC3(C)C4CCC5(C)C(CCC5C4CC=C3C2)C(C)CCC(C)C(C)C)C(O)C(O)C1O |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |