MassBank Record: KO003674



 L-(-)-Proline; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003674
RECORD_TITLE: L-(-)-Proline; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
DATE: 2016.01.19 (2007.07.07, 2011.05.10)
AUTHORS: Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID P003

CH$NAME: Pro CH$NAME: 2-Pyrrolidinecarboxylic acid CH$NAME: L-Proline CH$NAME: L-(-)-Proline CH$COMPOUND_CLASS: N/A CH$FORMULA: C5H9NO2 CH$EXACT_MASS: 115.06333 CH$SMILES: OC(=O)C([H])(C1)NCC1 CH$IUPAC: InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1 CH$LINK: CAS 147-85-3 CH$LINK: CHEBI 17203 CH$LINK: CHEMPDB PRO CH$LINK: KEGG C00148 CH$LINK: NIKKAJI J9.117K CH$LINK: PUBCHEM SID:3448 CH$LINK: INCHIKEY ONIBWKKTOPOVIA-BYPYZUCNSA-N
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 116 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-9000000000-ccd74eea36efab2cbab8 PK$NUM_PEAK: 7 PK$PEAK: m/z int. rel.int. 41.100 74257.5 4 43.200 242574.5 12 53.200 34653.5 2 68.100 683169.0 34 70.100 20094079.5 999 81.000 222772.5 11 98.700 133663.5 7 //