MassBank Record: KNA00698



 4-Hydroxy-L-proline; LC-ESI-ITFT; MS2; m/z:261.11; NEG 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KNA00698
RECORD_TITLE: 4-Hydroxy-L-proline; LC-ESI-ITFT; MS2; m/z:261.11; NEG
DATE: 2016.01.19 (2009.11.19, 2011.08.03)
AUTHORS: Takahashi HGraduate School of Information Science, NAIST, Kanaya SGraduate School of Information Science, NAIST, Ogasawara NGraduate School of Information Science, NAIST, Graduate School of Information Science, NAIST
LICENSE: CC BY-SA

CH$NAME: 4-Hydroxy-L-proline CH$NAME: L-Hydroxyproline CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C5H9NO3 CH$EXACT_MASS: 131.05824 CH$SMILES: OC(C1)CC(N1)C(O)=O CH$IUPAC: InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3?,4-/m0/s1 CH$LINK: CAS 51-35-4 CH$LINK: CHEBI 18240 CH$LINK: KEGG C01015 CH$LINK: KNAPSACK C00001370 CH$LINK: NIKKAJI J148.015D CH$LINK: PUBCHEM 4260 CH$LINK: INCHIKEY PMMYEEVYMWASQN-BKLSDQPFSA-N
AC$INSTRUMENT: LTQ Orbitrap XL, Thermo Scientfic AC$INSTRUMENT_TYPE: LC-ESI-ITFT AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35eV AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: COLUMN_NAME TOSOH TSKgel ODS-100V 5um Part no. 21456 AC$CHROMATOGRAPHY: FLOW_GRADIENT 0min:3%, 45min:97%, 50min:97%, 50.1:3%, 57min:3% (acetonitrile) AC$CHROMATOGRAPHY: FLOW_RATE 0.5 ml/min AC$CHROMATOGRAPHY: RETENTION_TIME 4.826400 min AC$CHROMATOGRAPHY: SOLVENT 0.1%formate-water / 0.1%formate-acetonitrile
MS$FOCUSED_ION: BASE_PEAK 130.079605 MS$FOCUSED_ION: PRECURSOR_M/Z 261.11
PK$SPLASH: splash10-001i-0900000000-cc0c0c49fda47ff3c20a PK$NUM_PEAK: 1 PK$PEAK: m/z int. rel.int. 130.079605 769.546814 999 //