MassBank Record: KO003675



 L-(-)-Proline; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003675
RECORD_TITLE: L-(-)-Proline; LC-ESI-QQ; MS2; CE:50 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$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 116 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-9000000000-9f214692cd39a6581813 PK$NUM_PEAK: 7 PK$PEAK: m/z int. rel.int. 38.800 14851.5 3 43.100 148515.0 34 62.900 84158.5 19 67.900 400990.5 92 70.200 4346539.0 999 81.200 79208.0 18 99.000 59406.0 14 //