ACCESSION: MSBNK-IPB_Halle-PB006102
RECORD_TITLE: Tyramine; LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
DATE: 2016.01.19 (Created 2009.03.27, modified 2013.06.04)
AUTHORS: Heinz T, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 2741
COMMENT: CONFIDENCE confident structure

CH$NAME: Tyramine
CH$NAME: 4-(2-aminoethyl)phenol
CH$COMPOUND_CLASS: Natural Product
CH$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$LINK: PUBCHEM CID:5610
CH$LINK: COMPTOX DTXSID2043874

AC$INSTRUMENT: micrOTOF-Q
AC$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$SPLASH: splash10-00di-0900000000-6fee17263658cb5b3fe2
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  102.042 10.010 0
  103.050 220.220 21
  104.063 10.010 0
  119.049 120.120 11
  120.057 110.110 10
  121.063 10000.000 999
  121.784 10.010 0
  121.813 10.010 0
  122.067 870.871 86
  134.937 30.030 2
  152.955 10.010 0
  159.871 10.010 0
  232.958 20.020 1
  422.495 10.010 0
  439.515 10.010 0
  582.782 10.010 0
  935.095 10.010 0
//