ACCESSION: MSBNK-RIKEN_ReSpect-PT106123
RECORD_TITLE: (S)-2-(2-Pyrrolidinyl)acetic acid hydrochloride, 2-[(2S)-pyrrolidin-2-yl]acetic acid, L-beta-homoproline-HCl; 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$NAME: (S)-2-(2-Pyrrolidinyl)acetic acid hydrochloride
CH$NAME: 2-[(2S)-pyrrolidin-2-yl]acetic acid
CH$NAME: L-beta-homoproline-HCl
CH$COMPOUND_CLASS: CLASS1 Amino acid CLASS2 Proline
CH$FORMULA: C₆H₁₁NO₂
CH$EXACT_MASS: 129.159
CH$SMILES: C1CC(NC1)CC(=O)O
CH$IUPAC: InChI=1S/C6H11NO2/c8-6(9)4-5-2-1-3-7-5/h5,7H,1-4H2,(H,8,9)
CH$LINK: CAS 53912-85-9
CH$LINK: INCHIKEY ADSALMJPJUKESW-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 130.08677

PK$SPLASH: splash10-00di-9000000000-cacf970aa27b5aa759d1
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  70.0658 460.5 999
  71.0487 6.061 13
  130.0868 5.582 12
//