ACCESSION: MSBNK-RIKEN_ReSpect-PT100043
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 30 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$SPLASH: splash10-001i-9200000000-66ef4b7f543f8bf1eba4
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  67.0531 3.507 465
  84.0325 0.5769 76
  84.0522 0.4709 62
  84.0776 7.539 999
  95.0468 1.16 154
  129.373 0.4946 66
  130.0024 0.4655 62
  130.0869 2.959 392
//