MassBank Record: KO001649

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(R)-(-)-Phenylephrine; LC-ESI-QQ; MS2; CE:40 V; [M-H]-

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

ACCESSION: KO001649
RECORD_TITLE: (R)-(-)-Phenylephrine; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID P059

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$LINK: KEGG C07441
CH$LINK: NIKKAJI J8.601K
CH$LINK: PUBCHEM SID:9645
CH$LINK: INCHIKEY SONNWYBIRXJNDC-VIFPVBQESA-N
CH$LINK: COMPTOX DTXSID9023465

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V

MS$FOCUSED_ION: PRECURSOR_M/Z 166
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-00di-3900000000-e8a5a4f1aae0796866a7
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  40.800 128713.0 9
  42.800 79208.0 5
  63.100 29703.0 2
  65.000 410891.5 28
  67.000 34653.5 2
  74.600 49505.0 3
  77.400 99010.0 7
  80.200 54455.5 4
  80.700 39604.0 3
  92.000 193069.5 13
  93.200 4252479.5 293
  94.200 24752.5 2
  95.000 262376.5 18
  104.700 44554.5 3
  105.000 49505.0 3
  105.800 237624.0 16
  107.000 39604.0 3
  119.500 138614.0 10
  121.100 14514866.0 999
  121.800 133663.5 9
  123.200 19802.0 1
  132.200 297030.0 20
  133.000 39604.0 3
  166.000 34653.5 2
//