ACCESSION: MSBNK-RIKEN_ReSpect-PT107550
RECORD_TITLE: Homopiperidinic acid, 5-Aminopentanoic acid, 5-Aminovaleric acid, delta-Aminovalerate, 5-aminopentanoic acid, 5-Aminopentanoate; LC-ESI-QTOF; MS2
DATE: 2008.07.28
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$NAME: Homopiperidinic acid
CH$NAME: 5-Aminopentanoic acid
CH$NAME: 5-Aminovaleric acid
CH$NAME: delta-Aminovalerate
CH$NAME: 5-aminopentanoic acid
CH$NAME: 5-Aminopentanoate
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Carboxylic acid CLASS3 Valeric acid
CH$FORMULA: C₅H₁₁NO₂
CH$EXACT_MASS: 117.148
CH$SMILES: C(CCN)CC(=O)O
CH$IUPAC: InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8)
CH$LINK: CAS 660-88-8
CH$LINK: INCHIKEY JJMDCOVWQOJGCB-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$SPLASH: splash10-0udi-1900000000-17b2a3b2a8a744b197fc
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  55.0554 62.58 142
  56.0512 25.95 59
  83.0498 34.92 79
  100.0764 151.5 345
  101.06 439.3 999
  118.0868 119.2 271
//