ACCESSION: MSBNK-Waters-WA002362
RECORD_TITLE: (R)-(-)-Phenylephrine; LC-ESI-Q; MS; POS; 75 V, 90 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 75 V, 90 V

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

PK$SPLASH: splash10-004i-9300000000-95612d9bad442c5a9f3d
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  77 999 999
  78 118 118
  79 443 443
  80 110 110
  81 43 43
  83 12 12
  89 313 313
  90 129 129
  91 380 380
  92 114 114
  93 20 20
  94 157 157
  95 290 290
  96 24 24
  97 12 12
  103 35 35
  104 27 27
  105 71 71
  106 137 137
  107 309 309
  108 59 59
  109 16 16
  110 20 20
  112 12 12
  113 12 12
  115 24 24
  116 39 39
  117 94 94
  118 86 86
  119 43 43
  120 47 47
  130 20 20
  131 12 12
  133 47 47
  134 86 86
  135 16 16
  146 20 20
  150 16 16
  168 35 35
//