MassBank Record: KO000735

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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: KO000735
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 E033

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$NAME: (-)-Epinephrine
CH$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: NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 182
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-03di-0900000000-12dd42d00be1feb2ea6f
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  45.2 9901.0 1.0
  58.9 29703.0 1.0
  59.3 24752.5 1.0
  87.1 113862.0 5.0
  87.7 19802.0 1.0
  92.9 19802.0 1.0
  97.4 14851.5 1.0
  108.2 118812.0 6.0
  109.0 118812.0 6.0
  110.1 19802.0 1.0
  121.3 39604.0 2.0
  121.9 3673270.0 173.0
  123.0 158416.0 7.0
  134.8 257426.0 12.0
  136.9 44554.5 2.0
  138.2 693070.0 33.0
  146.4 24752.5 1.0
  147.7 59406.0 3.0
  148.9 1980200.0 94.0
  162.1 297030.0 14.0
  164.2 2.11535E7 999.0
  182.2 1272280.0 60.0
  200.5 14851.5 1.0
  273.0 64356.5 3.0
  314.9 74257.5 4.0
//