ACCESSION: MSBNK-AGILENT-AG000021
RECORD_TITLE: Dinoseb (Subitex); ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.02.17
AUTHORS: Rennie E, McEachran A, Agilent Technologies
LICENSE: CC BY

CH$NAME: Dinoseb (Subitex)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂N₂O₅
CH$EXACT_MASS: 240.07462
CH$SMILES: CCC(C)C1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O
CH$IUPAC: InChI=1S/C10H12N2O5/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17/h4-6,13H,3H2,1-2H3
CH$LINK: CAS 88-85-7
CH$LINK: CHEMSPIDER 6684
CH$LINK: INCHIKEY OWZPCEFYPSAJFR-UHFFFAOYSA-N

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 239.0673450574
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-000l-0590000000-123298fbc097a154a2b9
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  151.076453 1.407878 14
  163.027492 1.340857 13
  176.035317 2.171267 21
  179.071368 2.205862 22
  180.030231 1.356337 13
  191.058792 1.343977 13
  192.066617 5.532483 55
  193.02548 20.824923 208
  194.045881 31.858558 318
  207.04113 3.156367 31
  208.061531 1.184232 11
  209.020395 1.533997 15
  209.069356 2.758233 27
  210.02822 3.383195 33
  221.05678 2.373324 23
  222.064605 5.832269 58
  239.067345 100 999
//