ACCESSION: MSBNK-IPB_Halle-PB000477
RECORD_TITLE: Tyramine; LC-ESI-QTOF; MS2; CE:50 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$MASS_SPECTROMETRY: COLLISION_ENERGY 50 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0fb9-9000000000-f3e7f124fef2633f8197
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  39.023 219.917 20
  41.039 96.903 8
  50.017 219.104 20
  51.025 6073.182 606
  52.032 53.383 4
  53.040 263.204 25
  55.019 141.930 13
  63.024 102.589 9
  65.039 1934.570 192
  66.048 298.367 28
  67.056 30.521 2
  75.023 92.261 8
  77.039 10000.000 999
  78.047 373.568 36
  81.034 37.136 2
  91.054 1714.422 170
  94.041 478.594 46
  95.050 1453.075 144
  102.048 249.742 23
  103.054 360.454 35
  105.046 413.490 40
//