MassBank Record: KO003502



 5-Methoxy-N,N-dimethyltryptamine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003502
RECORD_TITLE: 5-Methoxy-N,N-dimethyltryptamine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
DATE: 2016.01.19 (2007.07.07, 2011.05.10)
AUTHORS: Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., 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
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 //