MassBank Record: PR100717



 (R)-3-Amino-4-hydroxybutyric 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: PR100717
RECORD_TITLE: (R)-3-Amino-4-hydroxybutyric acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
DATE: 2016.01.19 (2010.06.21, 2012.10.22)
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$NAME: L-beta-Homoserine CH$NAME: (R)-3-Amino-4-hydroxybutyric acid CH$NAME: L-beta-homoserine [(R)-3-Amino-4-hydroxy-butyric acid (+)] CH$COMPOUND_CLASS: Amino acids CH$FORMULA: C4H9NO3 CH$EXACT_MASS: 119.05824 CH$SMILES: OCC(N)CC(O)=O CH$IUPAC: InChI=1S/C4H9NO3/c5-3(2-6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m1/s1 CH$LINK: CAS 16504-56-6 CH$LINK: CHEMSPIDER 1236878 CH$LINK: PUBCHEM CID:1502076 CH$LINK: INCHIKEY BUZICZZQJDLXJN-GSVOUGTGSA-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$FOCUSED_ION: PRECURSOR_M/Z 118.05044 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014i-2900000000-3706cc2bba472e2a8f6c PK$NUM_PEAK: 5 PK$PEAK: m/z int. rel.int. 72.0478 3.937 157 74.0623 2.557 102 83.0161 3.923 157 100.0414 9.736 389 118.0504 25 999 //