ACCESSION: MSBNK-IPB_Halle-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
CH$LINK: COMPTOX DTXSID70859325

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
//