ACCESSION: MSBNK-IPB_Halle-PB000476
RECORD_TITLE: Tyramine; LC-ESI-QTOF; MS2; CE:40 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: 267
COMMENT: CONFIDENCE confident structure

CH$NAME: Tyramine
CH$NAME: 4-(2-aminoethyl)phenol
CH$COMPOUND_CLASS: Natural Product; biogenic amine
CH$FORMULA: C₈H₁₁NO
CH$EXACT_MASS: 137.08406
CH$SMILES: C1=CC(=CC=C1CCN)O
CH$IUPAC: InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2
CH$LINK: INCHIKEY DZGWFCGJZKJUFP-UHFFFAOYSA-N
CH$LINK: KEGG C00483
CH$LINK: PUBCHEM CID:5610
CH$LINK: COMPTOX DTXSID2043874

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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-004i-9100000000-1cccef72bfa4b910f413
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  39.023 38.847 2
  51.025 1236.793 122
  53.041 163.790 15
  55.019 108.476 9
  65.039 796.906 78
  66.046 49.399 3
  77.039 10000.000 999
  78.046 218.499 20
  91.054 2749.819 273
  93.070 305.334 29
  94.041 315.550 30
  95.050 1847.259 183
  102.047 216.684 20
  103.056 2011.049 200
  105.046 523.295 51
  119.049 36.293 2
  121.065 179.652 16
//