MassBank Record: WA001915



 Meclofenoxate; LC-ESI-Q; MS; POS; 75 V, 90 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA001915
RECORD_TITLE: Meclofenoxate; LC-ESI-Q; MS; POS; 75 V, 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2012.05.21)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: Meclofenoxate CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H16ClNO3 CH$EXACT_MASS: 257.08187 CH$SMILES: CN(C)CCOC(=O)COc(c1)ccc(Cl)c1 CH$IUPAC: InChI=1S/C12H16ClNO3/c1-14(2)7-8-16-12(15)9-17-11-5-3-10(13)4-6-11/h3-6H,7-9H2,1-2H3 CH$LINK: CAS 51-68-3
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 12.780 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 75 V, 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-03xu-0900000000-ab1ff0aa30461e9de023 PK$NUM_PEAK: 48 PK$PEAK: m/z int. rel.int. 101 43 43 103 16 16 105 513 513 106 176 176 107 74 74 108 24 24 109 8 8 111 850 850 112 27 27 113 917 917 114 55 55 115 215 215 116 102 102 117 16 16 118 999 999 119 149 149 120 27 27 121 43 43 122 20 20 123 8 8 124 12 12 127 12 12 129 494 494 131 227 227 132 16 16 133 286 286 134 180 180 135 12 12 136 8 8 139 474 474 140 35 35 141 995 995 142 67 67 143 278 278 145 16 16 147 12 12 152 376 376 153 24 24 154 106 106 155 16 16 160 8 8 170 8 8 178 51 51 179 8 8 182 24 24 240 20 20 258 47 47 260 8 8 //