MassBank Record: PR100762



 5-Aminopentanoic acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR100762
RECORD_TITLE: 5-Aminopentanoic acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
DATE: 2016.01.19 (2010.06.21, 2011.05.06)
AUTHORS: Matsuda FPlant Science Center, RIKEN., Suzuki MPlant Science Center, RIKEN., Sawada YPlant Science Center, RIKEN., Plant Science Center, RIKEN.
LICENSE: CC BY-SA
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: 5-Aminovaleric acid CH$NAME: 5-Aminopentanoate CH$NAME: delta-Aminovalerate CH$NAME: 5-Aminopentanoic acid CH$NAME: Homopiperidinic acid CH$COMPOUND_CLASS: Amino acids CH$FORMULA: C5H11NO2 CH$EXACT_MASS: 117.07898 CH$SMILES: NCCCCC(O)=O CH$IUPAC: InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8) CH$LINK: CAS 660-88-8 CH$LINK: CHEMSPIDER 135 CH$LINK: KEGG C00431 CH$LINK: LIPIDMAPS LMFA01100040 CH$LINK: PUBCHEM CID:138 CH$LINK: INCHIKEY JJMDCOVWQOJGCB-UHFFFAOYSA-N
AC$INSTRUMENT: UPLC Q-Tof Premier, Waters AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-60 V AC$MASS_SPECTROMETRY: DATAFORMAT Continuum AC$MASS_SPECTROMETRY: DESOLVATION_GAS_FLOW 600.0 L/Hr AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 400 C AC$MASS_SPECTROMETRY: FRAGMENTATION_METHOD LOW-ENERGY CID AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: SOURCE_TEMPERATURE 120 C AC$CHROMATOGRAPHY: CAPILLARY_VOLTAGE 3.0 kV AC$CHROMATOGRAPHY: SAMPLING_CONE 23.0 V AC$CHROMATOGRAPHY: SOLVENT CH3CN(0.1%HCOOH)/ H2O(0.1%HCOOH)
MS$FOCUSED_ION: PRECURSOR_M/Z 116.07117 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014i-0900000000-dfd5e0188b9d032c50c5 PK$NUM_PEAK: 3 PK$PEAK: m/z int. rel.int. 99.9265 1.769 62 115.9209 1.637 57 116.0712 28.62 999 //