| SpectraBase Spectrum ID |
LLUsqzt7Rda |
| Name |
Methylparaben |
| CAS Registry Number |
99-76-3 |
| Collision Energy |
15 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
152.047344115 u |
| Formula |
C8H8O3 |
| InChI |
InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3 |
| InChIKey |
LXCFILQKKLGQFO-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
N |
| Ionization Type |
ESI- |
| Molecular Weight |
152.149 g/mol |
| Nominal Mass |
152 u |
| Precursor Ion |
[M-H]- |
| Precursor m/z |
151.04 |
| SMILES |
OC1=CC=C(C=C1)C(OC)=O |
| Selected Ion Charge |
-1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
methyl 4-hydroxybenzoate |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_-_101.2 |
