ACCESSION: MSBNK-Keio_Univ-KO003504
RECORD_TITLE: 5-Methoxy-N,N-dimethyltryptamine; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-0ab9-8900000000-4a1b4b925b663d3894ef
PK$NUM_PEAK: 61
PK$PEAK: m/z int. rel.int.
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  56.000 69307.0 1
  58.100 269227992.0 999
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  71.200 29703.0 1
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  115.300 1787130.5 7
  116.100 356436.0 1
  117.200 3470300.5 13
  118.100 821783.0 3
  118.900 183168.5 1
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  132.100 574258.0 2
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  144.000 4500004.5 17
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  159.100 45049550.0 167
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  174.200 197777425.5 734
  175.400 54455.5 1
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  219.400 346535.0 1
//