MassBank Record: WA000404



 MDA; LC-ESI-Q; MS; POS; 60 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA000404
RECORD_TITLE: MDA; LC-ESI-Q; MS; POS; 60 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$NAME: MDA CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H13NO2 CH$EXACT_MASS: 179.09463 CH$SMILES: CC(N)Cc(c1)cc(O2)c(OC2)c1 CH$IUPAC: InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3 CH$LINK: CAS 4764-17-4
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 9.800 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 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-056r-5900000000-9381f759a61718ef7370 PK$NUM_PEAK: 30 PK$PEAK: m/z int. rel.int. 77 568 568 79 874 874 80 51 51 82 8 8 90 35 35 91 20 20 93 39 39 95 24 24 103 345 345 105 999 999 106 86 86 107 8 8 108 20 20 115 24 24 118 8 8 121 51 51 122 35 35 126 16 16 133 208 208 135 611 611 136 51 51 144 12 12 147 20 20 148 20 20 149 27 27 162 8 8 163 114 114 164 12 12 180 43 43 198 12 12 //