MassBank Record: KO003501

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Nw-Methyltryptamine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

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

ACCESSION: KO003501
RECORD_TITLE: Nw-Methyltryptamine; LC-ESI-QQ; MS2; CE:50 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$EXACT_MASS: 174.1157
CH$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$LINK: COMPTOX DTXSID70209846
CH$LINK: INCHIKEY NCIKQJBVUNUXLW-UHFFFAOYSA-N
CH$LINK: NIKKAJI J213.548E
CH$LINK: PUBCHEM SID:10404885

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 50 V

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

PK$SPLASH: splash10-00kf-5900000000-f4083668545bda855210
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
  38.1 19802.0 1.0
  38.9 217822.0 6.0
  40.8 44554.5 1.0
  42.1 133664.0 4.0
  43.2 54455.5 2.0
  44.0 1.02822E7 290.0
  51.2 59406.0 2.0
  54.4 49505.0 1.0
  56.8 24752.5 1.0
  58.2 44554.5 1.0
  62.8 39604.0 1.0
  64.4 24752.5 1.0
  65.1 1727720.0 49.0
  66.2 866338.0 24.0
  67.0 871288.0 25.0
  68.7 24752.5 1.0
  75.2 183168.0 5.0
  77.0 1.3505E7 381.0
  77.8 945546.0 27.0
  79.2 930694.0 26.0
  79.9 59406.0 2.0
  88.7 554456.0 16.0
  89.0 3450500.0 97.0
  90.2 5831690.0 165.0
  91.0 3.21981E7 908.0
  92.2 74257.5 2.0
  93.0 727724.0 21.0
  95.1 480198.0 14.0
  101.1 1900990.0 54.0
  102.3 1321780.0 37.0
  102.9 2841590.0 80.0
  104.1 623763.0 18.0
  105.2 1000000.0 28.0
  106.1 321782.0 9.0
  113.0 39604.0 1.0
  114.4 188119.0 5.0
  115.3 3.00693E7 848.0
  116.2 5935650.0 167.0
  117.1 3.54109E7 999.0
  118.3 1054460.0 30.0
  125.1 59406.0 2.0
  126.2 1237620.0 35.0
  127.1 7955450.0 224.0
  128.1 3841590.0 108.0
  129.2 1178220.0 33.0
  130.2 1198020.0 34.0
  131.0 579208.0 16.0
  132.0 549506.0 16.0
  133.4 19802.0 1.0
  134.3 49505.0 1.0
  140.3 113862.0 3.0
  141.4 222772.0 6.0
  142.2 4975250.0 140.0
  143.2 1.88862E7 533.0
  144.1 2856440.0 81.0
  145.2 485149.0 14.0
  146.1 153466.0 4.0
//