ACCESSION: MSBNK-Waters-WA002363
RECORD_TITLE: (R)-(-)-Phenylephrine; LC-ESI-Q; MS; POS; 60 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Phenylephrine
CH$NAME: (R)-(-)-Phenylephrine
CH$COMPOUND_CLASS: N/A
CH$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 59-42-7
CH$LINK: INCHIKEY SONNWYBIRXJNDC-VIFPVBQESA-N
CH$LINK: COMPTOX DTXSID9023465

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 2.720 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 60 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-0006-9800000000-1528c86518f826f6ff3c
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  77 165 165
  78 12 12
  79 255 255
  80 74 74
  81 243 243
  82 20 20
  86 35 35
  89 16 16
  90 39 39
  91 999 999
  92 106 106
  93 55 55
  94 212 212
  95 71 71
  98 12 12
  103 63 63
  104 12 12
  105 16 16
  106 102 102
  107 388 388
  108 118 118
  109 212 212
  110 31 31
  111 12 12
  116 27 27
  117 102 102
  118 208 208
  119 63 63
  120 137 137
  121 39 39
  122 12 12
  130 20 20
  132 20 20
  133 24 24
  134 298 298
  135 223 223
  136 16 16
  148 12 12
  150 59 59
  168 12 12
//