| SpectraBase Spectrum ID |
3HJxecYZH3y |
| Name |
Ethylvanillin |
| CAS Registry Number |
121-32-4 |
| Collision Energy |
5 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
166.062994179 u |
| Formula |
C9H10O3 |
| InChI |
InChI=1S/C9H10O3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-6,11H,2H2,1H3 |
| InChIKey |
CBOQJANXLMLOSS-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
166.176 g/mol |
| Nominal Mass |
166 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
167.07 |
| SMILES |
OC1=C(OCC)C=C(C=C1)C=O |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
3-ethoxy-4-hydroxybenzaldehyde |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_344.9 |
