MassBank Record: MSBNK-Waters-WA000053

Chromafenozide; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

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ACCESSION: MSBNK-Waters-WA000053
RECORD_TITLE: Chromafenozide; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

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CH$NAME: Chromafenozide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₄H₃₀N₂O₃
CH$EXACT_MASS: 394.22564
CH$SMILES: Cc(c3)cc(cc(C)3)C(=O)N(NC(=O)c(c1)c(C)c(C2)c(OCC2)c1)C(C)(C)C
CH$IUPAC: InChI=1S/C24H30N2O3/c1-15-12-16(2)14-18(13-15)23(28)26(24(4,5)6)25-22(27)20-9-10-21-19(17(20)3)8-7-11-29-21/h9-10,12-14H,7-8,11H2,1-6H3,(H,25,27)
CH$LINK: CAS 143807-66-3
CH$LINK: INCHIKEY HPNSNYBUADCFDR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4057976

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AC$INSTRUMENT: QuattroPremier XE, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V

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MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 395.36
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

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PK$SPLASH: splash10-004i-0900000000-b308dde40c0c18f753f0
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  133 43 43
  175 999 999
  176 27 27
  245 8 8
//