| SpectraBase Spectrum ID |
Is8YAO4et1j |
| Name |
Fusidic acid |
| CAS Registry Number |
69900-60-3 |
| Collision Energy |
45 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
516.345089260 u |
| Formula |
C31H48O6 |
| InChI |
InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21?,22?,23+,24+,25-,27?,29-,30-,31-/m0/s1 |
| InChIKey |
IECPWNUMDGFDKC-ZUARWYTBSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
N |
| Ionization Type |
ESI- |
| Molecular Weight |
516.719 g/mol |
| Nominal Mass |
516 u |
| Precursor Ion |
[M-H]- |
| Precursor m/z |
515.338 |
| SMILES |
O[C@@]1(CC2[C@@]([C@@]3(C1[C@@]1(C([C@@]([C@](O)(CC1)[H])(C)[H])CC3)C)C)(C[C@@](\C2=C/(CCC=C(C)C)C(O)=O)(OC(=O)C)[H])C)[H] |
| Selected Ion Charge |
-1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
(2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_-_68.8 |
