MassBank Record: MSBNK-IPB_Halle-PB006102
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
//