MassBank Record: KO003503



 5-Methoxy-N,N-dimethyltryptamine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003503
RECORD_TITLE: 5-Methoxy-N,N-dimethyltryptamine; LC-ESI-QQ; MS2; CE:20 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 219 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-05fr-5910000000-7d365fd4fa5aeedebef6 PK$NUM_PEAK: 45 PK$PEAK: m/z int. rel.int. 45.900 39604.0 1 46.300 9901.0 1 58.100 192262568.5 619 60.900 29703.0 1 61.800 44554.5 1 68.600 39604.0 1 69.500 14851.5 1 72.100 405941.0 1 72.700 34653.5 1 76.600 14851.5 1 82.900 128713.0 1 90.900 39604.0 1 92.300 14851.5 1 104.000 153465.5 1 104.900 178218.0 1 107.300 34653.5 1 111.000 44554.5 1 115.100 480198.5 2 116.400 297030.0 1 117.300 69307.0 1 118.400 69307.0 1 120.600 44554.5 1 126.500 44554.5 1 129.400 54455.5 1 130.100 222772.5 1 130.800 272277.5 1 132.900 64356.5 1 134.000 24752.5 1 139.300 24752.5 1 142.200 277228.0 1 143.100 648515.5 2 144.100 1242575.5 4 146.300 94059.5 1 147.200 158416.0 1 148.300 5876243.5 19 155.300 24752.5 1 159.100 2400992.5 8 160.300 39604.0 1 161.200 69307.0 1 163.300 24752.5 1 173.700 5856441.5 19 174.200 310094369.5 999 184.100 34653.5 1 202.600 44554.5 1 219.300 50410941.5 162 //