ACCESSION: MSBNK-RIKEN_ReSpect-PT202860
RECORD_TITLE: L-Proline, (2S)-pyrrolidine-2-carboxylic acid, (S)-Pyrrolidine-2-carboxylic acid, Pro, 2-Pyrrolidinecarboxylic acid, Pyrrolidine-2-carboxylic acid, L-alpha-Pyrrolidinecarboxylic acid; 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$NAME: L-Proline
CH$NAME: (2S)-pyrrolidine-2-carboxylic acid
CH$NAME: (S)-Pyrrolidine-2-carboxylic acid
CH$NAME: Pro
CH$NAME: 2-Pyrrolidinecarboxylic acid
CH$NAME: Pyrrolidine-2-carboxylic acid
CH$NAME: L-alpha-Pyrrolidinecarboxylic acid
CH$COMPOUND_CLASS: CLASS1 Amino acid CLASS2 Proline
CH$FORMULA: C₅H₉NO₂
CH$EXACT_MASS: 115.132
CH$SMILES: C1CC(NC1)C(=O)O
CH$IUPAC: InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)
CH$LINK: CAS 147-85-3
CH$LINK: INCHIKEY ONIBWKKTOPOVIA-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 114.05553

PK$SPLASH: splash10-03di-0900000000-e1d0a4b20419dc7bae92
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
114.0555 30.05 999
//