ACCESSION: MSBNK-RIKEN_ReSpect-PT207550
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 NEGATIVE
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 116.07117

PK$SPLASH: splash10-014i-0900000000-dfd5e0188b9d032c50c5
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  99.9265 1.769 62
  115.9209 1.637 57
  116.0712 28.62 999
//