ACCESSION: MSBNK-Keio_Univ-KO004086
RECORD_TITLE: Tyramine; LC-ESI-QQ; MS2; CE:50 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 50 V

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

PK$SPLASH: splash10-004i-9000000000-29bd478cd5164a0ab18e
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  39.200 173267.5 6
  41.200 173267.5 6
  51.100 3376241.0 126
  53.100 198020.0 7
  55.000 143564.5 5
  63.000 168317.0 6
  65.100 3252478.5 121
  66.100 420792.5 16
  67.000 94059.5 4
  75.000 113861.5 4
  75.900 94059.5 4
  77.000 26747551.5 999
  78.100 881189.0 33
  79.100 39604.0 1
  81.000 69307.0 3
  91.000 4569311.5 171
  93.000 59406.0 2
  93.800 237624.0 9
  94.100 529703.5 20
  95.200 930694.0 35
  101.200 44554.5 2
  102.300 608911.5 23
  103.100 762377.0 28
  105.100 34653.5 1
  119.400 69307.0 3
//