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MassBank Record: MSBNK-RIKEN_ReSpect-PT106130

L-beta-homoserine, (R)-3-Amino-4-hydroxybutyric acid, (3R)-3-amino-4-hydroxybutanoic acid; LC-ESI-QTOF; MS2

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-RIKEN_ReSpect-PT106130
RECORD_TITLE: L-beta-homoserine, (R)-3-Amino-4-hydroxybutyric acid, (3R)-3-amino-4-hydroxybutanoic acid; LC-ESI-QTOF; MS2
DATE: 2008.07.28
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
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$NAME: (3R)-3-amino-4-hydroxybutanoic acid
CH$COMPOUND_CLASS: CLASS1 Amino acid CLASS2 Serine
CH$FORMULA: C4H9NO3
CH$EXACT_MASS: 119.12
CH$SMILES: C(C(CO)N)C(=O)O
CH$IUPAC: InChI=1S/C4H9NO3/c5-3(2-6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)
CH$LINK: CAS 16504-56-6
CH$LINK: INCHIKEY BUZICZZQJDLXJN-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 120.06604

PK$SPLASH: splash10-0ir0-8900000000-649f6a6a4c0a5410e212
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  60.0453 142.0 999
  84.045 48.73 343
  102.0552 110.4 777
  120.066 83.9 590
//

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