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Gabapentin -H2O ME
SpectraBase Compound ID DCszghJvnq2
InChI InChI=1S/C10H17NO/c1-11-8-10(7-9(11)12)5-3-2-4-6-10/h2-8H2,1H3
InChIKey PYGSRPNFSRADHF-UHFFFAOYSA-N
Mol Weight 167.25 g/mol
Molecular Formula C10H17NO
Exact Mass 167.131014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KihLexo1kWi
Name Gabapentin -H2O ME
Classification Anticonvulsant
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Exact Mass 167.131014170 u
Formula C10H17NO
InChI InChI=1S/C10H17NO/c1-11-8-10(7-9(11)12)5-3-2-4-6-10/h2-8H2,1H3
InChIKey PYGSRPNFSRADHF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 167.252 g/mol
Related CAS Registry Number(s) 60142-96-3
SMILES C12(CCCCC2)CN(C(C1)=O)C
SPLASH splash10-014i-9300000000-8b97ac097109fcb9548f
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Sample Preparation Procedure Detected: UME U+UHYAC
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_3113