ACCESSION: MSBNK-Keio_Univ-KO002859
RECORD_TITLE: (-)-Epinephrine; LC-ESI-QQ; MS2; CE:10 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)-(-)-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: 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 POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V

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

PK$SPLASH: splash10-014i-0900000000-b707acd2982b875d2b8a
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  57.200 34653.5 1
  71.200 19802.0 1
  73.200 29703.0 1
  76.200 123762.5 1
  77.900 118812.0 1
  80.000 138614.0 1
  83.400 49505.0 1
  84.900 64356.5 1
  89.000 34653.5 1
  92.800 113861.5 1
  93.800 74257.5 1
  94.600 64356.5 1
  95.100 89109.0 1
  96.500 14851.5 1
  97.900 74257.5 1
  99.200 59406.0 1
  100.200 2004952.5 14
  101.900 207921.0 1
  105.100 232673.5 2
  105.700 84158.5 1
  107.400 351485.5 2
  109.000 49505.0 1
  109.800 54455.5 1
  113.200 54455.5 1
  113.900 34653.5 1
  116.200 366337.0 3
  117.000 277228.0 2
  119.800 158416.0 1
  121.200 1237625.0 9
  122.200 1727724.5 12
  123.400 183168.5 1
  124.200 509901.5 4
  130.200 34653.5 1
  131.100 118812.0 1
  132.100 24752.5 1
  133.500 54455.5 1
  133.900 490099.5 3
  135.300 2787131.5 19
  137.200 163366.5 1
  148.200 232673.5 2
  149.400 2554458.0 18
  150.200 237624.0 2
  151.100 108911.0 1
  152.100 2173269.5 15
  166.300 143673411.0 999
  167.200 8960405.0 62
  183.700 608911.5 4
  184.200 66623829.0 463
//