MassBank Record: MSBNK-IPB_Halle-PB000477
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
//