ACCESSION: MSBNK-RIKEN_ReSpect-PT103920
RECORD_TITLE: Acepramine, Epsilcapramine, Caprolisin, epsilon-Amino-n-caproic acid, Respramin, 6-Aminohexanoate, epsilon-Leucin, 6-Aminohexanoic acid, Epsilcapramin, Hemocaprol, 6-Ahx, EACA, 6-Aminocaproic acid, ACS, 6-aminohexanoic acid, 6-Aca; 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$NAME: Acepramine
CH$NAME: Epsilcapramine
CH$NAME: Caprolisin
CH$NAME: epsilon-Amino-n-caproic acid
CH$NAME: Respramin
CH$NAME: 6-Aminohexanoate
CH$NAME: epsilon-Leucin
CH$NAME: 6-Aminohexanoic acid
CH$NAME: Epsilcapramin
CH$NAME: Hemocaprol
CH$NAME: 6-Ahx
CH$NAME: EACA
CH$NAME: 6-Aminocaproic acid
CH$NAME: ACS
CH$NAME: 6-aminohexanoic acid
CH$NAME: 6-Aca
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Carboxylic acid CLASS3 Caproic acid
CH$FORMULA: C₆H₁₃NO₂
CH$EXACT_MASS: 131.175
CH$SMILES: C(CCC(=O)O)CCN
CH$IUPAC: InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)
CH$LINK: CAS 60-32-2
CH$LINK: INCHIKEY SLXKOJJOQWFEFD-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 132.10242

PK$SPLASH: splash10-02t9-8900000000-bf129c99e91c701b7637
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  69.0708 1063.0 859
  73.0656 183.3 148
  79.0552 436.6 353
  96.0819 308.5 249
  97.0662 158.3 128
  114.0916 1236.0 999
  115.0771 169.0 137
  115.966 155.2 125
  132.1024 626.7 507
//