ACCESSION: MSBNK-Waters-WA001198
RECORD_TITLE: (-)-Epinephrine; LC-ESI-Q; MS; POS; 60 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Adrenaline
CH$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$LINK: INCHIKEY UCTWMZQNUQWSLP-VIFPVBQESA-N
CH$LINK: COMPTOX DTXSID5022986

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: RETENTION_TIME 2.400 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 60 V

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

PK$SPLASH: splash10-0aor-0900000000-c3730edf54b1dae9de68
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  102 12 12
  103 35 35
  104 12 12
  105 106 106
  107 999 999
  108 129 129
  109 118 118
  110 47 47
  111 12 12
  117 8 8
  118 47 47
  119 27 27
  120 251 251
  121 20 20
  122 51 51
  123 215 215
  124 86 86
  125 12 12
  126 24 24
  130 59 59
  131 12 12
  132 27 27
  133 121 121
  134 110 110
  135 188 188
  136 55 55
  137 67 67
  138 8 8
  144 12 12
  146 27 27
  147 8 8
  148 165 165
  149 27 27
  150 20 20
  151 400 400
  152 86 86
  162 20 20
  163 8 8
  166 650 650
  167 39 39
  178 16 16
  180 102 102
  181 8 8
  184 302 302
  185 12 12
  198 20 20
  206 8 8
  217 8 8
//