MassBank Record: MSBNK-IPB_Halle-PB000476
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
//