ACCESSION: MSBNK-Keio_Univ-KO003497
RECORD_TITLE: Nw-Methyltryptamine; 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 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 10 V

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

PK$SPLASH: splash10-004i-0900000000-9f3d3580f44ff890d948
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  44.100 460396.5 1
  57.900 59406.0 1
  61.400 108911.0 1
  71.200 14851.5 1
  73.800 29703.0 1
  78.300 54455.5 1
  78.800 44554.5 1
  83.100 138614.0 1
  88.200 34653.5 1
  98.800 79208.0 1
  101.700 34653.5 1
  102.800 19802.0 1
  106.800 99010.0 1
  111.600 34653.5 1
  115.100 915842.5 1
  116.900 500000.5 1
  118.100 3831687.0 4
  121.000 74257.5 1
  124.900 79208.0 1
  126.700 29703.0 1
  127.200 103960.5 1
  128.900 34653.5 1
  129.900 148515.0 1
  131.900 80623843.0 89
  139.000 217822.0 1
  140.400 103960.5 1
  141.200 529703.5 1
  142.900 514852.0 1
  144.100 327633991.0 363
  157.600 321782.5 1
  158.000 3465350.0 4
  175.200 900545455.0 999
  193.200 79208.0 1
//