MassBank Record: WA001198



 (-)-Epinephrine; LC-ESI-Q; MS; POS; 60 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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: Copyright 2007-2011 Nihon Waters K.K.

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