MassBank Record: PB000401



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

ACCESSION: PB000401
RECORD_TITLE: Serine; LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
DATE: 2016.01.19 (Created 2008.01.02, modified 2013.06.04)
AUTHORS: Boettcher C, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 249
COMMENT: CONFIDENCE: confident structure

CH$NAME: Serine CH$NAME: 2-amino-3-hydroxypropanoic acid CH$COMPOUND_CLASS: Natural Product; amino acid CH$FORMULA: C3H7NO3 CH$EXACT_MASS: 105.04259 CH$SMILES: C(C(C(=O)O)N)O CH$IUPAC: InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7) CH$LINK: INCHIKEY MTCFGRXMJLQNBG-UHFFFAOYSA-N CH$LINK: KEGG C00065 CH$LINK: PUBCHEM CID:617
AC$INSTRUMENT: API QSTAR Pulsar i AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03di-9000000000-948720369b4759232b19 PK$NUM_PEAK: 6 PK$PEAK: m/z int. rel.int. 42.035 1019.795 100 43.019 71.373 6 60.045 10000.000 999 70.030 801.021 79 88.041 797.017 78 106.053 215.321 20 //