MassBank Record: KZ000067



 (R)-(-)-Phenylephrine; GC-EI-TOF; MS; 2 TMS; BP:116 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000067
RECORD_TITLE: (R)-(-)-Phenylephrine; GC-EI-TOF; MS; 2 TMS; BP:116
DATE: 2016.01.19 (2009.03.11, 2011.05.06)
AUTHORS: Ara TKazusa DNA Research Institute, Morishita YKazusa DNA Research Institute, Shibata DKazusa DNA Research Institute, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_01640_P000052

CH$NAME: (R)-(-)-Phenylephrine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C9H13NO2 CH$EXACT_MASS: 167.09463 CH$SMILES: CNC[C@H](O)c(c1)cc(O)cc1 CH$IUPAC: InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1 CH$LINK: CAS 61-76-7 CH$LINK: INCHIKEY SONNWYBIRXJNDC-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID9023465
AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies AC$INSTRUMENT_TYPE: GC-EI-TOF AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME DB-17MS AC$CHROMATOGRAPHY: RETENTION_INDEX 1801.1 AC$CHROMATOGRAPHY: RETENTION_TIME 806.863 sec
MS$FOCUSED_ION: BASE_PEAK 116 MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-014i-0900000000-b11a2a880d1683fa6cae PK$NUM_PEAK: 95 PK$PEAK: m/z int. rel.int. 83 1 1 84 2 2 85 1 1 86 17 17 87 4 4 88 4 4 89 5 5 90 2 2 91 14 14 92 1 1 93 1 1 95 3 3 97 1 1 100 6 6 101 5 5 102 4 4 103 6 6 104 2 2 105 7 7 106 1 1 107 1 1 114 2 2 115 7 7 116 999 999 117 125 125 118 45 45 119 8 8 120 1 1 121 2 2 123 1 1 129 1 1 130 3 3 131 11 11 132 3 3 133 16 16 134 2 2 135 8 8 136 1 1 137 1 1 145 2 2 146 2 2 147 88 88 148 15 15 149 14 14 150 2 2 151 9 9 152 1 1 159 1 1 160 1 1 161 6 6 162 2 2 163 10 10 164 2 2 165 2 2 174 1 1 175 1 1 176 1 1 177 9 9 178 2 2 179 9 9 180 1 1 181 1 1 189 1 1 190 1 1 191 2 2 192 2 2 193 7 7 194 2 2 195 1 1 204 2 2 205 1 1 206 2 2 207 2 2 209 1 1 219 1 1 220 3 3 221 2 2 222 1 1 223 1 1 237 9 9 238 2 2 239 1 1 251 6 6 252 2 2 253 1 1 264 1 1 265 1 1 267 7 7 268 4 4 269 1 1 280 1 1 294 1 1 368 6 6 369 2 2 370 1 1 //

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