ACCESSION: MSBNK-Waters-WA001197
RECORD_TITLE: (-)-Epinephrine; LC-ESI-Q; MS; POS; 75 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 75 V

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

PK$SPLASH: splash10-0avi-0900000000-d611f60510a3287089c1
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  102 16 16
  103 39 39
  104 345 345
  105 474 474
  106 24 24
  107 999 999
  108 145 145
  109 118 118
  110 204 204
  111 12 12
  114 24 24
  115 8 8
  117 39 39
  118 317 317
  119 47 47
  120 219 219
  121 39 39
  122 51 51
  123 670 670
  124 157 157
  126 8 8
  128 12 12
  130 102 102
  131 27 27
  132 110 110
  133 180 180
  134 196 196
  135 94 94
  136 129 129
  137 31 31
  138 8 8
  146 47 47
  147 8 8
  148 145 145
  149 35 35
  150 78 78
  151 243 243
  152 63 63
  157 8 8
  162 8 8
  164 8 8
  166 615 615
  167 31 31
  178 8 8
  180 63 63
  182 8 8
  184 686 686
  185 39 39
  196 8 8
  198 8 8
  216 16 16
  225 8 8
  226 8 8
//