ACCESSION: MSBNK-Keio_Univ-KO003498
RECORD_TITLE: Nw-Methyltryptamine; 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 M101

CH$NAME: Nw-Methyltryptamine
CH$NAME: 2-(1H-indol-3-yl)-N-methyl-ethanamine
CH$NAME: 1H-Indole-3-ethanamine, N-methyl-
CH$NAME: N.omega.-methyltryptamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₄N₂
CH$EXACT_MASS: 174.11570
CH$SMILES: CNCCC1=CNC2=CC=CC=C21
CH$IUPAC: InChI=1S/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-13H,6-7H2,1H3
CH$LINK: CAS 61-49-4
CH$LINK: NIKKAJI J213.548E
CH$LINK: PUBCHEM SID:10404885
CH$LINK: INCHIKEY NCIKQJBVUNUXLW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70209846

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$FOCUSED_ION: PRECURSOR_M/Z 175
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0006-0900000000-822848a623cb94520599
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  44.100 17475265.0 32
  53.700 29703.0 1
  58.200 64356.5 1
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  83.000 44554.5 1
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  88.200 108911.0 1
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  93.800 34653.5 1
  94.700 39604.0 1
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  102.100 143564.5 1
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  105.200 89109.0 1
  107.100 168317.0 1
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  115.100 752476.0 1
  117.300 5143569.5 9
  118.000 5326738.0 10
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  127.000 930694.0 2
  128.000 292079.5 1
  130.200 341584.5 1
  132.100 126460522.5 231
  139.900 69307.0 1
  141.000 420792.5 1
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  143.100 2212873.5 4
  144.200 545772823.0 999
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  175.200 7074264.5 13
//