ACCESSION: MSBNK-Keio_Univ-KO002873
RECORD_TITLE: (-)-Epinephrine; LC-ESI-QQ; MS2; CE:50 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 50 V

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

PK$SPLASH: splash10-004j-9000000000-61011b8f179c08d62b62
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  41.200 29703.0 139
  46.200 108911.0 511
  55.400 24752.5 116
  56.800 29703.0 139
  64.700 24752.5 116
  74.700 19802.0 93
  77.100 212871.5 999
  79.400 24752.5 116
  83.900 39604.0 186
  90.900 49505.0 232
  93.600 24752.5 116
  95.000 69307.0 325
  104.900 69307.0 325
//