ACCESSION: MSBNK-IPB_Halle-PB000474
RECORD_TITLE: Tyramine; 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: 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-00di-1900000000-443d60e576da797a70d1
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  77.039 202.355 19
  91.054 396.823 38
  93.070 1104.054 109
  95.049 56.338 4
  103.054 548.934 53
  121.065 10000.000 999
//