ACCESSION: MSBNK-IPB_Halle-PB000475
RECORD_TITLE: Tyramine; LC-ESI-QTOF; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0ffx-9500000000-55fc23fe7afe748d1bf1
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  51.025 158.014 14
  53.040 90.389 8
  55.019 200.208 19
  65.039 214.495 20
  77.038 10000.000 999
  78.045 92.103 8
  79.053 60.481 5
  91.054 6650.570 664
  93.070 4243.030 423
  94.041 101.056 9
  95.050 2286.958 227
  102.047 213.733 20
  103.054 8593.022 858
  105.046 638.817 62
  119.049 56.291 4
  121.065 5941.843 593
//