ACCESSION: MSBNK-Keio_Univ-KO004083
RECORD_TITLE: Tyramine; LC-ESI-QQ; MS2; CE:20 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 20 V

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

PK$SPLASH: splash10-00di-1900000000-55c25dd64462c06c5316
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  44.600 74257.5 1
  54.800 84158.5 1
  59.200 579208.5 3
  61.200 69307.0 1
  61.800 59406.0 1
  69.600 128713.0 1
  73.100 19802.0 1
  77.100 5029708.0 23
  78.900 247525.0 1
  82.500 19802.0 1
  89.000 257426.0 1
  91.100 11282189.5 52
  93.000 21346556.0 98
  94.100 74257.5 1
  95.000 970298.0 4
  96.700 19802.0 1
  102.000 158416.0 1
  102.900 14381202.5 66
  106.300 49505.0 1
  107.800 19802.0 1
  111.300 44554.5 1
  119.400 94059.5 1
  121.000 217064573.5 999
  123.400 39604.0 1
  138.200 440594.5 2
//