ACCESSION: MSBNK-Keio_Univ-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$EXACT_MASS: 174.11570
CH$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 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.
  38.100 19802.0 1
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  91.000 32198052.0 908
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  146.100 153465.5 4
//