ACCESSION: MSBNK-Keio_Univ-KO004082
RECORD_TITLE: Tyramine; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-00di-0900000000-51c6cc08017f1672b791
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  58.700 49505.0 1
  61.000 103960.5 1
  73.200 29703.0 1
  77.000 143564.5 1
  77.900 8910900.0 29
  79.800 59406.0 1
  83.300 69307.0 1
  84.700 19802.0 1
  88.100 118812.0 1
  89.400 242574.5 1
  90.900 356436.0 1
  93.100 965347.5 3
  95.400 59406.0 1
  96.600 34653.5 1
  99.600 232673.5 1
  100.500 19802.0 1
  102.800 1113862.5 4
  106.000 262376.5 1
  108.000 84158.5 1
  121.000 302772580.0 999
  138.200 108440702.5 358
//