MassBank Record: WA000403



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

ACCESSION: WA000403
RECORD_TITLE: MDA; 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$NAME: MDA CH$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 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0bu9-0900000000-525ad215a809307aa644 PK$NUM_PEAK: 33 PK$PEAK: m/z int. rel.int. 77 102 102 79 141 141 82 8 8 90 43 43 91 8 8 93 16 16 95 12 12 99 8 8 100 8 8 103 63 63 105 999 999 106 90 90 107 8 8 108 20 20 115 12 12 121 24 24 122 24 24 126 12 12 133 650 650 135 787 787 136 67 67 137 8 8 141 24 24 144 12 12 149 82 82 158 12 12 163 564 564 164 63 63 165 8 8 180 55 55 181 8 8 196 8 8 198 16 16 //