ACCESSION: MSBNK-EPA-ENTACT_AGILENT000117
RECORD_TITLE: Dulcin; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Dulcin
CH$NAME: DTXSID9020580
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₂N₂O₂
CH$EXACT_MASS: 180.0898776422
CH$SMILES: CCOC1C=CC(=CC=1)NC(N)=O
CH$IUPAC: InChI=1S/C9H12N2O2/c1-2-13-8-5-3-7(4-6-8)11-9(10)12/h3-6H,2H2,1H3,(H3,10,11,12)
CH$LINK: CAS 150-69-6
CH$LINK: INCHIKEY GGLIEWRLXDLBBF-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:9013

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10

MS$FOCUSED_ION: PRECURSOR_M/Z 181.0971540939
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-001r-0900000000-5f982c2701dd04d1d8ff
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  65.038577 1.128283 11
  93.033491 1.209908 12
  101.002191 11.249536 112
  108.04439 9.736278 97
  110.06004 10.809176 107
  136.07569 24.057776 240
  138.09134 26.842392 268
  164.070605 3.097145 30
  181.097154 100.000003 999
//