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MassBank Record: KO004085

Tyramine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO004085
RECORD_TITLE: Tyramine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID T008

CH$NAME: Tyramine
CH$NAME: 2-(p-Hydroxyphenyl)ethylamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H11NO
CH$EXACT_MASS: 137.08406
CH$SMILES: NCCc(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2
CH$LINK: CAS 51-67-2
CH$LINK: CHEBI 15760
CH$LINK: KEGG C00483
CH$LINK: NIKKAJI J4.123H
CH$LINK: PUBCHEM SID:3766
CH$LINK: INCHIKEY DZGWFCGJZKJUFP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2043874

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V

MS$FOCUSED_ION: PRECURSOR_M/Z 138
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-004i-9100000000-5f044e831c0d2db255fa
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  39.200 64356.5 1
  41.000 143564.5 2
  43.000 84158.5 1
  44.300 29703.0 1
  51.100 1049506.0 14
  53.100 143564.5 2
  55.000 252475.5 3
  56.800 14851.5 1
  62.900 29703.0 1
  65.100 3262379.5 44
  66.100 173267.5 2
  66.800 123762.5 2
  70.500 29703.0 1
  72.500 14851.5 1
  74.900 54455.5 1
  77.000 74000074.0 999
  78.200 1014852.5 14
  78.900 128713.0 2
  80.800 143564.5 2
  82.900 24752.5 1
  90.000 24752.5 1
  91.000 20603981.0 278
  93.200 2029705.0 27
  94.300 1826734.5 25
  95.000 4495054.0 61
  101.000 94059.5 1
  102.000 1559407.5 21
  103.200 12490111.5 169
  105.200 143564.5 2
  111.300 118812.0 2
  118.900 173267.5 2
  119.900 227723.0 3
  121.300 1069308.0 14
  129.000 9901.0 1
//

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