MassBank Record: KO002870

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(-)-Epinephrine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

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

ACCESSION: KO002870
RECORD_TITLE: (-)-Epinephrine; LC-ESI-QQ; MS2; CE:20 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 E043

CH$NAME: Epinephrine(2)
CH$NAME: (R)-(-)-Adrenaline
CH$NAME: (R)-(-)-Epinephrine
CH$NAME: (R)-(-)-Epirenamine
CH$NAME: (R)-(-)-Adnephrine
CH$NAME: L-Adrenaline
CH$NAME: 4-[(1R)-1-Hydroxy-2-(methylamino)ethyl]-1,2-benzenediol
CH$NAME: (-)-Epinephrine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H13NO3
CH$EXACT_MASS: 183.08954
CH$SMILES: CNC[C@H](O)c(c1)cc(O)c(O)c1
CH$IUPAC: InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1
CH$LINK: CAS 51-43-4
CH$LINK: CHEBI 28918
CH$LINK: COMPTOX DTXSID5022986
CH$LINK: INCHIKEY UCTWMZQNUQWSLP-VIFPVBQESA-N
CH$LINK: KEGG C00788
CH$LINK: NIKKAJI J9.224J
CH$LINK: PUBCHEM SID:4046

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE: MS2
AC$MASS_SPECTROMETRY: ION_MODE: POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 184
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0uxr-2900000000-b54ca44315664cba912a
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  45.2 29703.0 15.0
  45.9 524753.0 258.0
  58.8 44554.5 22.0
  68.9 29703.0 15.0
  72.9 549506.0 270.0
  75.9 49505.0 24.0
  77.0 44554.5 22.0
  78.2 24752.5 12.0
  83.3 113862.0 56.0
  84.7 24752.5 12.0
  88.9 247525.0 122.0
  91.1 34653.5 17.0
  93.0 49505.0 24.0
  97.0 84158.5 41.0
  98.9 39604.0 19.0
  99.8 326733.0 160.0
  101.9 1801980.0 885.0
  102.8 14851.5 7.0
  104.9 1148520.0 564.0
  106.2 173268.0 85.0
  107.0 316832.0 156.0
  109.1 108911.0 53.0
  111.0 54455.5 27.0
  117.4 148515.0 73.0
  120.0 103960.0 51.0
  121.2 94059.5 46.0
  122.3 183168.0 90.0
  123.4 64356.5 32.0
  124.2 64356.5 32.0
  125.1 24752.5 12.0
  131.3 54455.5 27.0
  135.1 628714.0 309.0
  137.2 44554.5 22.0
  139.1 118812.0 58.0
  148.8 415842.0 204.0
  151.3 54455.5 27.0
  166.2 688120.0 338.0
  167.2 2034660.0 999.0
  184.3 326733.0 160.0
//