MassBank Record: WA001857



 Adrenalone; LC-ESI-Q; MS; POS; 90 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA001857
RECORD_TITLE: Adrenalone; LC-ESI-Q; MS; POS; 90 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$NAME: Adrenalone CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H11NO3 CH$EXACT_MASS: 181.07389 CH$SMILES: CNCC(=O)c(c1)cc(O)c(O)c1 CH$IUPAC: InChI=1S/C9H11NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,10-12H,5H2,1H3 CH$LINK: CAS 99-45-6
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 2.550 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 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-014i-0900000000-dec616f875addbade067 PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 101 12 12 102 31 31 103 353 353 104 43 43 105 59 59 106 20 20 110 20 20 116 24 24 117 999 999 118 482 482 119 43 43 120 39 39 121 27 27 123 35 35 127 20 20 128 16 16 129 24 24 130 24 24 131 20 20 134 16 16 144 12 12 146 51 51 149 20 20 182 208 208 183 12 12 //