ACCESSION: MSBNK-Keio_Univ-KO002871
RECORD_TITLE: (-)-Epinephrine; LC-ESI-QQ; MS2; CE:30 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: 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 30 V

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

PK$SPLASH: splash10-0udi-4900000000-ddb658c2925f26d0d038
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  44.900 173267.5 143
  45.800 440594.5 364
  55.200 49505.0 41
  56.900 34653.5 29
  59.200 44554.5 37
  68.800 29703.0 25
  70.700 14851.5 12
  72.900 430693.5 356
  79.100 79208.0 66
  81.100 64356.5 53
  83.200 188119.0 156
  84.200 207921.0 172
  86.400 39604.0 33
  89.100 79208.0 66
  91.500 29703.0 25
  95.000 89109.0 74
  96.900 133663.5 111
  99.100 19802.0 16
  100.300 84158.5 70
  102.100 1207922.0 999
  104.900 1029704.0 852
  105.900 188119.0 156
  107.300 440594.5 364
  109.500 64356.5 53
  111.200 113861.5 94
  119.900 64356.5 53
  121.000 99010.0 82
  121.800 29703.0 25
  123.000 138614.0 115
  124.300 19802.0 16
  133.400 49505.0 41
  135.100 74257.5 61
  137.200 14851.5 12
  139.100 44554.5 37
  147.900 34653.5 29
  149.100 94059.5 78
  151.400 237624.0 197
  152.100 19802.0 16
  167.100 306931.0 254
//