ACCESSION: MSBNK-Waters-WA000190
RECORD_TITLE: Imazaquin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

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

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 30 V

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

PK$SPLASH: splash10-00kk-7960000000-c867ab005c4dd49899fb
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  58 20 20
  67 16 16
  69 768 768
  71 31 31
  73 8 8
  86 760 760
  87 12 12
  97 51 51
  128 35 35
  142 16 16
  153 59 59
  155 82 82
  156 12 12
  171 8 8
  181 357 357
  183 78 78
  184 8 8
  186 8 8
  197 290 290
  199 999 999
  200 35 35
  210 12 12
  222 16 16
  224 400 400
  225 74 74
  227 8 8
  234 8 8
  241 8 8
  249 102 102
  252 427 427
  253 12 12
  265 16 16
  267 172 172
  268 8 8
  270 43 43
  284 8 8
  312 12 12
//