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MassBank Record: PT100040

Cycloleucine, 1-aminocyclopentane-1-carboxylic acid, acpc, Cycloleucin, 1-Amino-1-cyclopentanecarboxylic acid; LC-ESI-QTOF; MS2

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

ACCESSION: PT100040
RECORD_TITLE: Cycloleucine, 1-aminocyclopentane-1-carboxylic acid, acpc, Cycloleucin, 1-Amino-1-cyclopentanecarboxylic acid; LC-ESI-QTOF; MS2
DATE: 2008.07.22
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$NAME: Cycloleucine
CH$NAME: 1-aminocyclopentane-1-carboxylic acid
CH$NAME: acpc
CH$NAME: Cycloleucin
CH$NAME: 1-Amino-1-cyclopentanecarboxylic acid
CH$COMPOUND_CLASS: CLASS1 Amino acid CLASS2 Leucine
CH$FORMULA: C6H11NO2
CH$EXACT_MASS: 129.159
CH$SMILES: C1CCC(C1)(C(=O)O)N
CH$IUPAC: InChI=1S/C6H11NO2/c7-6(5(8)9)3-1-2-4-6/h1-4,7H2,(H,8,9)
CH$LINK: CAS 52-52-8
CH$LINK: INCHIKEY NILQLFBWTXNUOE-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 130.1

PK$SPLASH: splash10-001i-0900000000-1fb29c634b3071a0a6eb
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
  84.0793 191.6 94
  130.0827 2038.0 999
//

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