ACCESSION: MSBNK-RIKEN-PR010006
RECORD_TITLE: (R)-(-)-Phenylephrine; GC-EI-TOF; MS; 2 TMS; BP:116
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: (R)-(-)-Phenylephrine
CH$NAME: Transferred to D00511
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$LINK: KEGG C07442
CH$LINK: PUBCHEM 9646
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$CHROMATOGRAPHY: RETENTION_INDEX 1769.5
AC$CHROMATOGRAPHY: RETENTION_TIME 435.636 sec

MS$FOCUSED_ION: BASE_PEAK 116
MS$FOCUSED_ION: DERIVATIVE_FORM C15H29NO2Si2
MS$FOCUSED_ION: DERIVATIVE_MASS 311.17368
MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-01b9-6900000000-bbdd210a846be116dbcd
PK$NUM_PEAK: 102
PK$PEAK: m/z int. rel.int.
  60 4 4
  61 5 5
  63 1 1
  65 2 2
  66 2 2
  70 3 3
  71 3 3
  72 12 12
  73 751 751
  74 64 64
  75 42 42
  76 3 3
  77 12 12
  78 1 1
  79 2 2
  83 1 1
  84 1 1
  85 1 1
  86 12 12
  87 3 3
  88 3 3
  89 4 4
  90 1 1
  91 10 10
  92 1 1
  93 1 1
  95 2 2
  100 6 6
  101 4 4
  102 3 3
  103 5 5
  104 2 2
  105 7 7
  107 1 1
  114 2 2
  115 5 5
  116 999 999
  117 129 129
  118 45 45
  119 7 7
  120 1 1
  121 2 2
  130 2 2
  131 7 7
  132 2 2
  133 12 12
  134 2 2
  135 6 6
  136 1 1
  137 1 1
  145 2 2
  146 2 2
  147 70 70
  148 12 12
  149 11 11
  150 1 1
  151 6 6
  152 1 1
  159 1 1
  160 1 1
  161 5 5
  162 1 1
  163 8 8
  164 1 1
  165 2 2
  174 1 1
  175 1 1
  176 1 1
  177 9 9
  178 2 2
  179 8 8
  180 1 1
  181 1 1
  190 1 1
  191 2 2
  192 1 1
  193 6 6
  194 1 1
  195 1 1
  204 2 2
  205 1 1
  206 2 2
  207 2 2
  209 1 1
  220 3 3
  221 2 2
  222 1 1
  223 1 1
  237 6 6
  238 1 1
  251 4 4
  252 2 2
  264 1 1
  265 1 1
  267 9 9
  268 8 8
  269 2 2
  280 1 1
  294 1 1
  368 8 8
  369 3 3
  370 1 1
//