ACCESSION: MSBNK-Keio_Univ-KO002860
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)-(-)-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 20 V

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

PK$SPLASH: splash10-014i-0900000000-11cde2cb09790e4e65cf
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
  45.100 29703.0 1
  57.400 514852.0 6
  58.200 306931.0 4
  59.000 94059.5 1
  68.900 49505.0 1
  69.900 29703.0 1
  72.100 123762.5 1
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  76.100 44554.5 1
  77.000 64356.5 1
  78.800 193069.5 2
  80.800 153465.5 2
  83.200 212871.5 3
  83.900 29703.0 1
  84.600 64356.5 1
  88.700 99010.0 1
  89.100 217822.0 3
  90.800 193069.5 2
  93.200 103960.5 1
  94.400 14851.5 1
  96.900 128713.0 2
  97.300 49505.0 1
  98.700 262376.5 3
  100.200 861387.0 10
  102.300 1757427.5 21
  102.800 331683.5 4
  105.100 1123763.5 13
  106.100 148515.0 2
  107.000 7173274.5 85
  109.400 801981.0 10
  110.300 39604.0 1
  111.400 64356.5 1
  113.300 69307.0 1
  114.000 39604.0 1
  116.000 54455.5 1
  117.000 683169.0 8
  119.200 247525.0 3
  120.100 3069310.0 36
  121.300 2188121.0 26
  122.300 202970.5 2
  123.100 311881.5 4
  124.300 84158.5 1
  125.200 267327.0 3
  128.100 19802.0 1
  130.200 113861.5 1
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  133.200 440594.5 5
  135.200 9222781.5 109
  137.400 1663368.0 20
  138.200 89109.0 1
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  146.200 79208.0 1
  148.000 3534657.0 42
  149.000 980199.0 12
  151.300 2792082.0 33
  166.300 84178302.0 999
  167.300 2019804.0 24
  184.400 301980.5 4
//