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MassBank Record: PT102840

Nva, L-2-Aminovaleric acid, (S)-2-Aminovaleric acid, (S)-(+)-2-Aminopentanoic acid, (2S)-2-aminopentanoic acid, L-Norvaline; LC-ESI-QTOF; MS2

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: PT102840
RECORD_TITLE: Nva, L-2-Aminovaleric acid, (S)-2-Aminovaleric acid, (S)-(+)-2-Aminopentanoic acid, (2S)-2-aminopentanoic acid, L-Norvaline; LC-ESI-QTOF; MS2
DATE: 2008.07.25
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC-BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: Nva
CH$NAME: L-2-Aminovaleric acid
CH$NAME: (S)-2-Aminovaleric acid
CH$NAME: (S)-(+)-2-Aminopentanoic acid
CH$NAME: (2S)-2-aminopentanoic acid
CH$NAME: L-Norvaline
CH$COMPOUND_CLASS: CLASS1 Amino acid CLASS2 Valine
CH$FORMULA: C5H11NO2
CH$EXACT_MASS: 117.148
CH$SMILES: CCCC(C(=O)O)N
CH$IUPAC: InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
CH$LINK: CAS 6600-40-4
CH$LINK: INCHIKEY SNDPXSYFESPGGJ-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 118.08677

PK$SPLASH: splash10-00di-9000000000-8e18b75f54c0cafa716a
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
  72.0813 847.8 999
  118.0868 61.22 72
//

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