ACCESSION: MSBNK-Keio_Univ-KO004084
RECORD_TITLE: Tyramine; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-0f96-9500000000-5aeadc73c34cf8e33d2c
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  41.300 19802.0 1
  43.000 89109.0 2
  44.900 113861.5 2
  51.100 54455.5 1
  55.200 371287.5 7
  59.200 173267.5 3
  64.900 554456.0 10
  71.100 34653.5 1
  77.100 56203026.5 999
  78.000 405941.0 7
  79.000 415842.0 7
  80.300 19802.0 1
  80.900 94059.5 2
  85.000 44554.5 1
  88.700 14851.5 1
  91.000 42460438.5 755
  93.000 21306952.0 379
  94.000 396040.0 7
  95.000 5004955.5 89
  98.600 19802.0 1
  101.900 1658417.5 29
  102.900 47712919.0 848
  105.100 247525.0 4
  106.100 49505.0 1
  109.000 29703.0 1
  111.200 123762.5 2
  112.700 14851.5 1
  118.200 19802.0 1
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  119.900 410891.5 7
  121.300 27940622.0 497
  122.900 14851.5 1
//