MassBank Record: KO003504



 5-Methoxy-N,N-dimethyltryptamine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003504
RECORD_TITLE: 5-Methoxy-N,N-dimethyltryptamine; LC-ESI-QQ; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$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. 45.800 54455.5 1 56.000 69307.0 1 58.100 269227992.0 999 61.200 24752.5 1 69.200 79208.0 1 71.200 29703.0 1 72.000 178218.0 1 79.200 64356.5 1 81.300 103960.5 1 83.400 133663.5 1 85.900 39604.0 1 86.700 14851.5 1 90.900 767327.5 3 94.900 14851.5 1 98.300 29703.0 1 99.800 24752.5 1 102.900 49505.0 1 104.000 44554.5 1 105.200 202970.5 1 107.000 188119.0 1 109.100 14851.5 1 111.700 29703.0 1 112.300 14851.5 1 115.300 1787130.5 7 116.100 356436.0 1 117.200 3470300.5 13 118.100 821783.0 3 118.900 183168.5 1 120.000 24752.5 1 120.900 153465.5 1 122.700 29703.0 1 127.300 376238.0 1 128.300 148515.0 1 128.800 504951.0 2 130.000 1173268.5 4 131.100 7539611.5 28 132.100 574258.0 2 133.200 891090.0 3 133.800 118812.0 1 135.300 34653.5 1 140.400 29703.0 1 142.300 3816835.5 14 143.100 15435659.0 57 144.000 4500004.5 17 145.200 361386.5 1 146.200 1232674.5 5 147.000 2440596.5 9 148.200 3777231.5 14 156.400 99010.0 1 157.300 103960.5 1 157.800 643565.0 2 159.100 45049550.0 167 160.400 173267.5 1 162.300 118812.0 1 164.200 19802.0 1 173.700 4500004.5 17 174.200 197777425.5 734 175.400 54455.5 1 185.000 9901.0 1 203.000 207921.0 1 219.400 346535.0 1 //