ACCESSION: MSBNK-Keio_Univ-KO000371
RECORD_TITLE: Bentazon; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID B072

CH$NAME: Bentazon
CH$NAME: Bentazone
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂N₂O₃S
CH$EXACT_MASS: 240.05686
CH$SMILES: CC(C)N(C(=O)1)S(=O)(=O)Nc(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3
CH$LINK: CAS 25057-89-0
CH$LINK: KEGG C10965
CH$LINK: NIKKAJI J1.875I
CH$LINK: PUBCHEM SID:13148
CH$LINK: INCHIKEY ZOMSMJKLGFBRBS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0023901

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 239
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-000i-0090000000-52d24cba58b49af66f64
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  35.300 19802.0 1
  62.300 74257.5 1
  78.700 69307.0 1
  96.700 14851.5 1
  116.800 14851.5 1
  131.700 168317.0 1
  133.100 79208.0 1
  140.700 34653.5 1
  151.400 49505.0 1
  160.000 24752.5 1
  174.900 366337.0 1
  175.500 123762.5 1
  177.100 282178.5 1
  181.400 24752.5 1
  195.300 118812.0 1
  197.400 460396.5 1
  205.500 74257.5 1
  206.600 826733.5 1
  221.400 19802.0 1
  222.900 321782.5 1
  238.000 39604.0 1
  239.200 1408412299.5 999
  399.600 257426.0 1
  400.400 19802.0 1
//