| SpectraBase Spectrum ID |
HInCYUfF9nA |
| Name |
Catechin |
| CAS Registry Number |
154-23-4 |
| Collision Energy |
10 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
290.079038165 u |
| Formula |
C15H14O6 |
| InChI |
InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1 |
| InChIKey |
PFTAWBLQPZVEMU-DZGCQCFKSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
290.271 g/mol |
| Nominal Mass |
290 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
291.086 |
| SMILES |
O[C@]1(CC=2C(O[C@@]1(C1=CC(=C(O)C=C1)O)[H])=CC(=CC2O)O)[H] |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_211.1 |
