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MassBank Record: KO004143

Tryptamine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

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

ACCESSION: KO004143
RECORD_TITLE: Tryptamine; 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 T031

CH$NAME: Tryptamine
CH$NAME: 3-(2-Aminoethyl)indole
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H12N2
CH$EXACT_MASS: 160.10005
CH$SMILES: C1=CC=C2C(=C1)C(=CN2)CCN
CH$IUPAC: InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2
CH$LINK: CAS 61-54-1
CH$LINK: CHEBI 16765
CH$LINK: KEGG C00398
CH$LINK: NIKKAJI J4.816J
CH$LINK: PUBCHEM SID:3688
CH$LINK: INCHIKEY APJYDQYYACXCRM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2075340

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$FOCUSED_ION: PRECURSOR_M/Z 161
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0006-0900000000-a3617243f16ac1d19ca3
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  63.300 29703.0 1
  69.300 69307.0 1
  72.000 123762.5 1
  80.900 29703.0 1
  82.800 34653.5 1
  85.900 24752.5 1
  87.200 44554.5 1
  91.100 188119.0 1
  97.100 29703.0 1
  98.200 103960.5 1
  98.900 643565.0 2
  100.700 148515.0 1
  103.000 103960.5 1
  104.000 29703.0 1
  111.200 29703.0 1
  112.000 24752.5 1
  113.400 34653.5 1
  115.100 841585.0 3
  116.100 202970.5 1
  117.100 6371293.5 25
  118.400 252475.5 1
  126.300 252475.5 1
  127.000 1420793.5 6
  128.000 415842.0 2
  129.000 3455449.0 13
  131.900 707921.5 3
  141.900 143564.5 1
  143.300 3584162.0 14
  144.200 257826990.5 999
  144.700 707921.5 3
  146.000 123762.5 1
  161.100 717822.5 3
  201.600 14851.5 1
//

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