| SpectraBase Spectrum ID |
7fMlq0lI1Dl |
| Name |
Gabapentin |
| CAS Registry Number |
60142-96-3 |
| Collision Energy |
30 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
171.125928789 u |
| Formula |
C9H17NO2 |
| InChI |
InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12) |
| InChIKey |
UGJMXCAKCUNAIE-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
171.240 g/mol |
| Nominal Mass |
171 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
172.133 |
| SMILES |
OC(CC1(CN)CCCCC1)=O |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
2-[1-(aminomethyl)cyclohexyl]acetic acid |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_381.5 |
