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MassBank Record: WA002885

DOM; LC-ESI-Q; MS; POS; 15 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: WA002885
RECORD_TITLE: DOM; LC-ESI-Q; MS; POS; 15 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 15 V

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

PK$SPLASH: splash10-03di-0190000000-56858b59bbf43f2ede6f
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  193 180 180
  194 24 24
  195 8 8
  210 999 999
  211 74 74
  212 8 8
  419 20 20
//

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