MassBank Record: PB000451



 Proline; LC-ESI-QTOF; MS2; CE:55 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB000451
RECORD_TITLE: Proline; LC-ESI-QTOF; MS2; CE:55 eV; [M+H]+
DATE: 2016.01.19 (Created 2008.01.02, modified 2013.06.04)
AUTHORS: Boettcher C, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 261
COMMENT: CONFIDENCE: confident structure

CH$NAME: Proline CH$NAME: pyrrolidine-2-carboxylic acid CH$COMPOUND_CLASS: Natural Product; amino acid CH$FORMULA: C5H9NO2 CH$EXACT_MASS: 115.06333 CH$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: INCHIKEY ONIBWKKTOPOVIA-UHFFFAOYSA-N CH$LINK: KEGG C00148 CH$LINK: PUBCHEM CID:614
AC$INSTRUMENT: API QSTAR Pulsar i AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 55 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-9000000000-91b526c5c2fc8d4096f6 PK$NUM_PEAK: 8 PK$PEAK: m/z int. rel.int. 39.023 372.369 36 41.040 1135.096 112 42.036 1259.219 124 43.054 1667.566 165 44.051 291.419 28 53.042 436.230 42 68.053 991.186 98 70.067 10000.000 999 //