| SpectraBase Spectrum ID |
Ahw17EY7bip |
| Name |
Chlortetracycline |
| CAS Registry Number |
57-62-5 |
| Collision Energy |
25 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
478.114293401 u |
| Formula |
C22H23ClN2O8 |
| InChI |
InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26-27,31-33H,6,24H2,1-3H3/b20-13+/t7?,8?,15-,21-,22-/m0/s1 |
| InChIKey |
WKZUQOQLOHMCQC-YEMAFWKLSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
478.885 g/mol |
| Nominal Mass |
478 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
479.122 |
| SMILES |
O[C@@]1(C=2C(=C(O)C=CC2Cl)C(=C2C([C@]3(C(CC12)[C@@](C(\C(C3=O)=C\(O)N)=O)(N(C)C)[H])O)=O)O)C |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
(2E,4S,6S,12aS)-2-[amino(hydroxy)methylidene]-7-chloro-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_208.4 |
