ACCESSION: MSBNK-Keio_Univ-KO002872
RECORD_TITLE: (-)-Epinephrine; LC-ESI-QQ; MS2; CE:40 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 40 V

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

PK$SPLASH: splash10-0ugi-9500000000-1fadd0dd0beb4816b39d
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  42.700 19802.0 57
  44.600 24752.5 71
  45.000 108911.0 314
  46.000 212871.5 614
  55.200 74257.5 214
  58.400 84158.5 243
  64.800 19802.0 57
  66.100 14851.5 43
  69.100 34653.5 100
  73.000 79208.0 228
  77.200 282178.5 813
  79.000 267327.0 771
  80.800 74257.5 214
  83.000 103960.5 300
  84.400 306931.0 885
  91.200 84158.5 243
  93.000 79208.0 228
  95.400 74257.5 214
  102.100 336634.0 970
  104.900 346535.0 999
  106.300 49505.0 143
  107.100 153465.5 442
  109.300 49505.0 143
  110.200 19802.0 57
  122.900 69307.0 200
  125.300 14851.5 43
  132.700 49505.0 143
  150.900 19802.0 57
//