ACCESSION: MSBNK-Keio_Univ-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$NAME: Epinephrine
CH$NAME: (R)-(-)-Adrenaline
CH$NAME: (R)-(-)-Epinephrine
CH$NAME: (R)-(-)-Adnephrine
CH$NAME: L-Adrenaline
CH$NAME: 4-[(1R)-1-Hydroxy-2-(methylamino)ethyl]-1,2-benzenediol
CH$NAME: (R)-(-)-Epirenamine
CH$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: KEGG C00788
CH$LINK: NIKKAJI J9.224J
CH$LINK: PUBCHEM SID:4046
CH$LINK: INCHIKEY UCTWMZQNUQWSLP-VIFPVBQESA-N
CH$LINK: COMPTOX DTXSID5022986

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.
  45.200 9901.0 1
  58.900 29703.0 1
  59.300 24752.5 1
  87.100 113861.5 5
  87.700 19802.0 1
  92.900 19802.0 1
  97.400 14851.5 1
  108.200 118812.0 6
  109.000 118812.0 6
  110.100 19802.0 1
  121.300 39604.0 2
  121.900 3673271.0 173
  123.000 158416.0 7
  134.800 257426.0 12
  136.900 44554.5 2
  138.200 693070.0 33
  146.400 24752.5 1
  147.700 59406.0 3
  148.900 1980200.0 94
  162.100 297030.0 14
  164.200 21153486.5 999
  182.200 1272278.5 60
  200.500 14851.5 1
  273.000 64356.5 3
  314.900 74257.5 4
//