ACCESSION: MSBNK-Waters-WA002883
RECORD_TITLE: DOM; LC-ESI-Q; MS; POS; 45 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 45 V

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

PK$SPLASH: splash10-00mo-0900000000-18c47887966f45028007
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  105 51 51
  107 12 12
  119 8 8
  121 8 8
  123 8 8
  131 8 8
  133 20 20
  135 133 133
  136 12 12
  137 63 63
  146 16 16
  147 8 8
  151 12 12
  152 86 86
  153 24 24
  161 67 67
  162 16 16
  163 121 121
  165 784 784
  166 63 63
  176 12 12
  178 646 646
  179 55 55
  193 999 999
  194 114 114
  195 8 8
  210 51 51
//