ACCESSION: MSBNK-Waters-WA002882
RECORD_TITLE: DOM; 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$NAME: DOM
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₉NO₂
CH$EXACT_MASS: 209.14158
CH$SMILES: COc(c1)c(C)cc(OC)c(CC(C)N)1
CH$IUPAC: InChI=1S/C12H19NO2/c1-8-5-12(15-4)10(6-9(2)13)7-11(8)14-3/h5,7,9H,6,13H2,1-4H3
CH$LINK: CAS 15588-95-1
CH$LINK: INCHIKEY NTJQREUGJKIARY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50860611

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 12.300 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$SPLASH: splash10-0409-0900000000-2d7f974c9dcd87b6cb9a
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  103 63 63
  105 349 349
  106 12 12
  107 94 94
  108 12 12
  109 20 20
  115 20 20
  116 24 24
  117 47 47
  118 16 16
  119 31 31
  120 35 35
  121 98 98
  122 43 43
  123 39 39
  128 12 12
  129 31 31
  131 86 86
  132 12 12
  133 55 55
  135 721 721
  136 55 55
  137 188 188
  138 24 24
  145 20 20
  146 94 94
  147 102 102
  148 39 39
  149 27 27
  150 16 16
  151 8 8
  152 98 98
  153 51 51
  161 55 55
  162 24 24
  163 999 999
  164 59 59
  165 548 548
  166 39 39
  176 16 16
  178 709 709
  179 59 59
  193 180 180
  194 20 20
  210 35 35
//