MassBank Record: WA002293



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

ACCESSION: WA002293
RECORD_TITLE: MDEA; 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$NAME: MDEA CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H17NO2 CH$EXACT_MASS: 207.12593 CH$SMILES: CCNC(C)Cc(c1)cc(O2)c(OC2)c1 CH$IUPAC: InChI=1S/C12H17NO2/c1-3-13-9(2)6-10-4-5-11-12(7-10)15-8-14-11/h4-5,7,9,13H,3,6,8H2,1-2H3 CH$LINK: CAS 82801-81-8
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 11.350 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: splash10-0bu9-0900000000-3f75bd72dce644ca2ec7 PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 103 20 20 105 940 940 106 47 47 115 8 8 122 20 20 123 12 12 133 717 717 135 901 901 136 55 55 151 20 20 163 999 999 164 71 71 165 12 12 174 12 12 208 102 102 209 8 8 //