MassBank Record: KO009040

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5-Methoxy-N,N-dimethyltryptamine; LC-ESI-IT; MS2; m/z: 219; [M+H]+

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

ACCESSION: KO009040
RECORD_TITLE: 5-Methoxy-N,N-dimethyltryptamine; LC-ESI-IT; MS2; m/z: 219; [M+H]+
DATE: 2011.05.10 (Created 2008.05.12)
AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, 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$LINK: COMPTOX DTXSID70144324
CH$LINK: INCHIKEY ZSTKHSQDNIGFLM-UHFFFAOYSA-N
CH$LINK: KEGG C08309
CH$LINK: PUBCHEM 10507

AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE: MS2
AC$MASS_SPECTROMETRY: ION_MODE: POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.65

MS$FOCUSED_ION: PRECURSOR_M/Z 219
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-00di-0900000000-026ae917940e27f31556
PK$ANNOTATION: 174.1 1 1 C11H12NO 174.09189
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  70.2 35.5099983215332 1.0
  72.2 4457.9599609375 5.0
  77.5 34.560001373291016 1.0
  89.1 409.989990234375 1.0
  104.9 114.0999984741211 1.0
  107.1 1358.1600341796875 2.0
  118.1 152.22000122070312 1.0
  123.0 87.55999755859375 1.0
  131.0 45.81999969482422 1.0
  133.0 179.02999877929688 1.0
  137.0 87.9800033569336 1.0
  142.1 119.13999938964844 1.0
  143.1 267.5899963378906 1.0
  144.0 107.13999938964844 1.0
  145.0 285.4100036621094 1.0
  147.0 85.68000030517578 1.0
  148.1 17829.900390625 22.0
  149.1 33.2599983215332 1.0
  159.1 822.3699951171875 1.0
  161.1 337.05999755859375 1.0
  162.1 128.83999633789062 1.0
  163.2 319.5799865722656 1.0
  173.1 95.48999786376953 1.0
  174.1 818667.0 999.0
  175.1 2628.7099609375 3.0
  177.1 84.91000366210938 1.0
  178.9 153.05999755859375 1.0
  189.1 298.94000244140625 1.0
  191.2 610.2100219726562 1.0
  201.1 1347.6500244140625 2.0
  203.1 113.41999816894531 1.0
  218.0 151.39999389648438 1.0
  219.1 22576.80078125 28.0
  220.2 353.4100036621094 1.0
//