| SpectraBase Spectrum ID |
1QKQWjxynzx |
| Name |
Vanillin |
| CAS Registry Number |
121-33-5 |
| Collision Energy |
40 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
152.047344115 u |
| Formula |
C8H8O3 |
| InChI |
InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3 |
| InChIKey |
MWOOGOJBHIARFG-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
152.149 g/mol |
| Nominal Mass |
152 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
153.055 |
| SMILES |
OC1=C(OC)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 |
4-hydroxy-3-methoxybenzaldehyde |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_995.7 |
