MassBank Record: KO002871

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(-)-Epinephrine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: 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: COMPTOX DTXSID5022986
CH$LINK: INCHIKEY UCTWMZQNUQWSLP-VIFPVBQESA-N
CH$LINK: KEGG C00788
CH$LINK: NIKKAJI J9.224J
CH$LINK: PUBCHEM SID:4046

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.
  44.9 173268.0 143.0
  45.8 440594.0 364.0
  55.2 49505.0 41.0
  56.9 34653.5 29.0
  59.2 44554.5 37.0
  68.8 29703.0 25.0
  70.7 14851.5 12.0
  72.9 430694.0 356.0
  79.1 79208.0 66.0
  81.1 64356.5 53.0
  83.2 188119.0 156.0
  84.2 207921.0 172.0
  86.4 39604.0 33.0
  89.1 79208.0 66.0
  91.5 29703.0 25.0
  95.0 89109.0 74.0
  96.9 133664.0 111.0
  99.1 19802.0 16.0
  100.3 84158.5 70.0
  102.1 1207920.0 999.0
  104.9 1029700.0 852.0
  105.9 188119.0 156.0
  107.3 440594.0 364.0
  109.5 64356.5 53.0
  111.2 113862.0 94.0
  119.9 64356.5 53.0
  121.0 99010.0 82.0
  121.8 29703.0 25.0
  123.0 138614.0 115.0
  124.3 19802.0 16.0
  133.4 49505.0 41.0
  135.1 74257.5 61.0
  137.2 14851.5 12.0
  139.1 44554.5 37.0
  147.9 34653.5 29.0
  149.1 94059.5 78.0
  151.4 237624.0 197.0
  152.1 19802.0 16.0
  167.1 306931.0 254.0
//