| SpectraBase Spectrum ID |
1WAofr8ntKk |
| Name |
Oxytetracycline |
| CAS Registry Number |
79-57-2 |
| Collision Energy |
30 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
460.148180352 u |
| Formula |
C22H24N2O9 |
| InChI |
InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-26,28,31-33H,23H2,1-3H3/b20-11- |
| InChIKey |
FYDOORKXBWEKQM-JAIQZWGSSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
460.439 g/mol |
| Nominal Mass |
460 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
461.156 |
| SMILES |
OC1C2C(C3=C(C(O)=CC=C3)C(=C2C(C2(C1C(C(\C(C2=O)=C/(O)N)=O)N(C)C)O)=O)O)(O)C |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
(2Z)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_698.5 |
