| SpectraBase Spectrum ID |
EmsNWZCg3DM |
| Name |
Gabapentin MS2 |
| CAS Registry Number |
60142-96-3 |
| Comments |
F: ITMS + c ESI d w Full ms2 172.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| 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 |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC(CC1(CN)CCCCC1)=O |
| Sample Comments |
The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database. |
| Sample Description |
Analyte Type: Parent |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms2 |
| Technique |
ITMS |
