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MassBank Record: MSBNK-Waters-WA002364

(R)-(-)-Phenylephrine; LC-ESI-Q; MS; POS; 45 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Waters-WA002364
RECORD_TITLE: (R)-(-)-Phenylephrine; LC-ESI-Q; MS; POS; 45 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 45 V

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

PK$SPLASH: splash10-0k96-5900000000-e40bc76a0297125c7c0c
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  77 20 20
  79 59 59
  80 16 16
  81 239 239
  82 16 16
  86 35 35
  91 999 999
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  93 43 43
  94 51 51
  95 12 12
  103 31 31
  105 35 35
  106 24 24
  107 106 106
  108 51 51
  109 662 662
  110 47 47
  111 16 16
  117 98 98
  118 59 59
  119 180 180
  120 59 59
  121 94 94
  122 31 31
  130 12 12
  132 39 39
  134 82 82
  135 407 407
  136 31 31
  150 588 588
  151 47 47
//

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