| SpectraBase Spectrum ID |
4RJ8dRJrRCF |
| Name |
Guaifenesin |
| CAS Registry Number |
93-14-1 |
| Collision Energy |
25 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
198.089208927 u |
| Formula |
C10H14O4 |
| InChI |
InChI=1S/C10H14O4/c1-13-9-4-2-3-5-10(9)14-7-8(12)6-11/h2-5,8,11-12H,6-7H2,1H3 |
| InChIKey |
HSRJKNPTNIJEKV-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
198.218 g/mol |
| Nominal Mass |
198 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
199.096 |
| SMILES |
OC(CO)COC=1C(OC)=CC=CC1 |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
3-(2-methoxyphenoxy)propane-1,2-diol |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_396.4 |
