MassBank Record: WA001199

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(-)-Epinephrine; LC-ESI-Q; MS; POS; 45 V

Mass Spectrum
Chemical Structure
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ACCESSION: WA001199
RECORD_TITLE: (-)-Epinephrine; LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: (-)-Epinephrine
CH$NAME: Adrenaline
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H13NO3
CH$EXACT_MASS: 183.08953999999999950887286104261875152587890625
CH$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$LINK: COMPTOX DTXSID5022986
CH$LINK: INCHIKEY UCTWMZQNUQWSLP-VIFPVBQESA-N

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: RETENTION_TIME 2.400 min
AC$CHROMATOGRAPHY: SAMPLING_CONE 45 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-014i-0900000000-17c1aa1eda3a62eeeceb
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  102 27 27
  103 20 20
  107 282 282
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  124 12 12
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  130 86 86
  131 12 12
  133 39 39
  135 176 176
  137 47 47
  146 8 8
  148 86 86
  149 12 12
  151 121 121
  152 24 24
  166 999 999
  167 67 67
  168 8 8
  178 12 12
  180 86 86
  184 125 125
  198 8 8
  216 8 8
//