ACCESSION: MSBNK-Kazusa-KZ000067
RECORD_TITLE: (R)-(-)-Phenylephrine; GC-EI-TOF; MS; 2 TMS; BP:116
DATE: 2016.01.19 (Created 2009.03.11, modified 2011.05.06)
AUTHORS: Ara T, Morishita Y, Shibata D, 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
//