MassBank Record: KO003506



 5-Methoxy-N,N-dimethyltryptamine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003506
RECORD_TITLE: 5-Methoxy-N,N-dimethyltryptamine; LC-ESI-QQ; MS2; CE:50 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$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 219 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0a59-7900000000-995a794ee19726d9dad1 PK$NUM_PEAK: 57 PK$PEAK: m/z int. rel.int. 40.900 44554.5 1 42.000 173267.5 2 43.000 277228.0 2 44.000 19802.0 1 46.000 74257.5 1 55.000 34653.5 1 56.300 559406.5 5 58.300 112311993.5 999 65.000 89109.0 1 68.900 19802.0 1 71.800 99010.0 1 77.000 806931.5 7 78.000 1272278.5 11 79.100 252475.5 2 80.200 133663.5 1 81.400 34653.5 1 89.100 361386.5 3 90.100 603961.0 5 91.100 3069310.0 27 101.800 133663.5 1 103.200 1410892.5 13 104.100 2173269.5 19 105.300 4212875.5 37 106.100 94059.5 1 107.200 504951.0 4 108.000 306931.0 3 114.300 212871.5 2 115.300 6831690.0 61 116.200 2089111.0 19 117.200 4569311.5 41 118.100 366337.0 3 119.300 113861.5 1 121.200 247525.0 2 126.100 49505.0 1 127.100 707921.5 6 128.200 712872.0 6 129.300 386139.0 3 130.200 48267375.0 429 131.200 32559438.5 290 131.800 1346536.0 12 133.100 737624.5 7 133.900 103960.5 1 140.200 267327.0 2 141.200 391089.5 3 142.100 2732676.0 24 143.100 13737637.5 122 144.200 752476.0 7 145.000 123762.5 1 146.200 143564.5 1 147.100 480198.5 4 148.300 108911.0 1 156.900 54455.5 1 158.100 3108914.0 28 159.100 11257437.0 100 172.000 89109.0 1 173.300 262376.5 2 174.200 1009902.0 9 //