MassBank Record: KO001878



 L-Threonine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001878
RECORD_TITLE: L-Threonine; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID T010

CH$NAME: Thr CH$NAME: 2-Amino-3-hydroxybutyric acid CH$NAME: L-Threonine CH$COMPOUND_CLASS: N/A CH$FORMULA: C4H9NO3 CH$EXACT_MASS: 119.05824 CH$SMILES: C[C@H](O)[C@H](N)C(O)=O CH$IUPAC: InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3-/m0/s1 CH$LINK: CAS 72-19-5 CH$LINK: CHEBI 16857 CH$LINK: CHEMPDB THR CH$LINK: KEGG C00188 CH$LINK: NIKKAJI J21.883I CH$LINK: PUBCHEM SID:3488
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 118 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-00di-9100000000-7f4010640f9aaa91fc32 PK$NUM_PEAK: 5 PK$PEAK: m/z int. rel.int. 44.800 49505.0 3 55.800 39604.0 2 71.900 113861.5 6 74.100 18173285.5 999 118.100 2113863.5 116 //