MassBank Record: KO009041

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5-Methoxy-N,N-dimethyltryptamine; LC-ESI-IT; MS3; m/z: 219/174; [M+H]+
Mass Spectrum
Chemical Structure
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ACCESSION: KO009041
RECORD_TITLE: 5-Methoxy-N,N-dimethyltryptamine; LC-ESI-IT; MS3; m/z: 219/174; [M+H]+
DATE: 2011.12.05 (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
COMMENT: [MS2] KO009040

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: PUBCHEM 10507 CH$LINK: INCHIKEY ZSTKHSQDNIGFLM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70144324
AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies AC$INSTRUMENT_TYPE: LC-ESI-IT AC$MASS_SPECTROMETRY: MS_TYPE MS3 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.65/0.70
MS$FOCUSED_ION: PRECURSOR_M/Z 219/174 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis
PK$SPLASH: splash10-0a4i-0900000000-2a00c789bf0a52b49304 PK$NUM_PEAK: 37 PK$PEAK: m/z int. rel.int. 80.0 2.31 2 81.2 9.84 7 91.1 2.85 2 105.1 11.46 8 107.0 14.77 10 108.1 2.92 2 115.1 20.22 14 115.9 2.23 2 117.1 46.07 32 118.1 36.92 26 119.1 20.92 15 119.9 1.31 1 128.1 7.22 5 129.1 20.08 14 130.1 5.99 4 131.1 83.84 59 132.1 15.15 11 133.1 2.54 2 142.1 30.38 21 143.1 195.94 137 144.0 125.05 88 145.1 44.93 31 146.1 68.84 48 147.1 76.51 54 148.1 9.62 7 156.1 2.61 2 158.1 7.85 6 159.0 1424.97 999 160.0 213.94 150 161.1 2.08 1 162.1 7.77 5 163.3 2.31 2 175.1 146.33 103 176.2 4.46 3 187.0 2.46 2 189.1 1.85 1 233.1 1.77 1 //