MassBank Record: WA002474



 Ranitidine; 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: WA002474
RECORD_TITLE: Ranitidine; LC-ESI-Q; MS; POS; 75 V, 90 V
DATE: 2016.01.19 (2007.08.01, 2011.05.06)
AUTHORS: , Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Ranitidine CH$COMPOUND_CLASS: N/A CH$FORMULA: C13H22N4O3S CH$EXACT_MASS: 314.14126 CH$SMILES: CNC(NCCSCc(c1)oc(CN(C)C)c1)=C[N+1]([O-1])=O CH$IUPAC: InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+ CH$LINK: CAS 66357-35-5 CH$LINK: INCHIKEY VMXUWOKSQNHOCA-UKTHLTGXSA-N
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: RETENTION_TIME 2.700 min AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$CHROMATOGRAPHY: SAMPLING_CONE 75 V, 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0udi-0900000000-d0865245bb5633777751 PK$NUM_PEAK: 52 PK$PEAK: m/z int. rel.int. 101 16 16 102 999 999 103 39 39 104 165 165 105 47 47 106 59 59 107 451 451 108 114 114 109 82 82 110 63 63 111 31 31 115 27 27 117 67 67 118 180 180 119 27 27 120 102 102 121 266 266 122 71 71 123 39 39 125 259 259 126 31 31 127 20 20 129 31 31 130 55 55 131 12 12 132 223 223 133 149 149 134 35 35 135 282 282 136 39 39 137 27 27 138 16 16 145 16 16 146 27 27 147 43 43 148 278 278 149 102 102 150 27 27 151 31 31 159 12 12 160 20 20 161 12 12 163 106 106 164 24 24 165 24 24 167 16 16 177 106 106 178 39 39 181 16 16 191 24 24 192 24 24 315 12 12 //