ACCESSION: MSBNK-AGILENT-AG000019
RECORD_TITLE: Dinoseb (Subitex); ESI-QTOF; MS2; CE: 40; [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 40

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

PK$SPLASH: splash10-01qc-0900000000-047d4d9d9afa8179c959
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  65.998537 1.16766 11
  77.039674 1.413743 14
  103.055324 1.086976 10
  105.034588 1.133621 11
  109.016927 1.861263 18
  121.029503 3.891934 38
  122.037328 5.471245 54
  123.04113 1.253656 12
  134.024752 100 999
  135.032577 39.988146 399
  136.040402 7.696982 76
  146.037328 3.656051 36
  147.045153 2.587079 25
  148.048955 4.831808 48
  149.035651 3.274567 32
  150.053372 2.2552 22
  151.076453 4.871046 48
  160.040402 1.706524 17
  162.019667 13.597422 135
  163.027492 66.163834 660
  164.04387 7.753795 77
  176.035317 15.744001 157
  177.043142 12.37965 123
  178.050967 11.659227 116
  179.022406 2.324122 23
  180.030231 1.704114 17
  192.066617 7.551754 75
  193.02548 40.719803 406
  194.045881 19.429372 194
  207.04113 4.590807 45
  208.061531 1.075228 10
  209.020395 13.499739 134
//