MassBank Record: WA002877



 2,5-Dimethoxy amphetamine; LC-ESI-Q; MS; POS; 45 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002877
RECORD_TITLE: 2,5-Dimethoxy amphetamine; LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: 2,5-Dimethoxy amphetamine CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H17NO2 CH$EXACT_MASS: 195.12593 CH$SMILES: COc(c1)cc(CC([H])(C)N)c(OC)c1 CH$IUPAC: InChI=1S/C11H17NO2/c1-8(12)6-9-7-10(13-2)4-5-11(9)14-3/h4-5,7-8H,6,12H2,1-3H3/t8-/m0/s1 CH$LINK: CAS 2801-68-5
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 11.200 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: SAMPLING_CONE 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0w29-0900000000-a95a1f2f4edc3abde044 PK$NUM_PEAK: 20 PK$PEAK: m/z int. rel.int. 105 8 8 108 12 12 117 8 8 119 20 20 121 157 157 123 110 110 124 8 8 138 63 63 139 59 59 147 24 24 149 78 78 151 999 999 152 71 71 153 8 8 162 24 24 164 521 521 165 39 39 179 427 427 180 43 43 196 47 47 //