ACCESSION: MSBNK-Keio_Univ-KO003502
RECORD_TITLE: 5-Methoxy-N,N-dimethyltryptamine; 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 M103

CH$NAME: 5-Methoxy-N,N-dimethyltryptamine
CH$NAME: Indole, 3-(2-(N,N-dimethylamino)ethyl)-5-methoxy-
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₈N₂O
CH$EXACT_MASS: 218.14191
CH$SMILES: CN(C)CCC1=CNC2=C1C=C(C=C2)OC
CH$IUPAC: InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
CH$LINK: CAS 1019-45-0
CH$LINK: KEGG C08309
CH$LINK: NIKKAJI J21.248B
CH$LINK: PUBCHEM SID:10507
CH$LINK: INCHIKEY ZSTKHSQDNIGFLM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70144324

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$FOCUSED_ION: PRECURSOR_M/Z 219
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-014i-0090000000-81cb5c66bea4c4f559a7
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  58.100 6044560.5 4
  71.900 163366.5 1
  83.300 113861.5 1
  87.900 19802.0 1
  98.800 64356.5 1
  104.000 252475.5 1
  105.000 450495.5 1
  111.300 94059.5 1
  113.500 24752.5 1
  115.300 485149.0 1
  116.000 381188.5 1
  117.100 49505.0 1
  120.800 247525.0 1
  123.300 39604.0 1
  126.900 49505.0 1
  131.100 108911.0 1
  131.600 34653.5 1
  132.400 19802.0 1
  137.100 153465.5 1
  141.100 59406.0 1
  142.200 39604.0 1
  143.300 158416.0 1
  144.200 287129.0 1
  148.300 1504952.0 1
  152.700 14851.5 1
  154.800 19802.0 1
  157.100 34653.5 1
  159.200 415842.0 1
  161.200 1321783.5 1
  165.600 24752.5 1
  173.700 1965348.5 1
  174.200 63425806.0 38
  183.200 237624.0 1
  184.400 34653.5 1
  187.000 148515.0 1
  201.200 153465.5 1
  202.400 579208.5 1
  205.100 39604.0 1
  219.300 1664684833.0 999
  220.400 34653.5 1
//