MassBank Record: MSBNK-Waters-WA000188

Imazaquin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

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ACCESSION: MSBNK-Waters-WA000188
RECORD_TITLE: Imazaquin; LC-ESI-QQ; MS2; CE:10 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$NAME: Imazaquin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₁₇N₃O₃
CH$EXACT_MASS: 311.12699
CH$SMILES: OC(=O)c(c2)c(nc(c3)c(ccc3)2)C(N1)=NC(C)(C(C)C)C(=O)1
CH$IUPAC: InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)
CH$LINK: CAS 81335-37-7
CH$LINK: INCHIKEY CABMTIJINOIHOD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3024152

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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 10 V

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MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 312.1
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

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PK$SPLASH: splash10-03di-0009000000-59a53949a11b316d37e2
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  281 8 8
  312 999 999
  313 43 43
//