ACCESSION: MSBNK-Waters-WA000126
RECORD_TITLE: Ferimzone E; 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

CH$NAME: Ferimzone E
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₈N₄
CH$EXACT_MASS: 254.15315
CH$SMILES: CC(=C1)NC(=NN=C(C)c(c2)c(C)ccc2)N=C(C)1
CH$IUPAC: InChI=1S/C15H18N4/c1-10-7-5-6-8-14(10)13(4)18-19-15-16-11(2)9-12(3)17-15/h5-9H,1-4H3,(H,16,17,19)/b18-13+
CH$LINK: CAS 77359-18-3
CH$LINK: INCHIKEY GOWLARCWZRESHU-QGOAFFKASA-N

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

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 255.14
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-0089-1920000000-30526c45ed66c80eb7f4
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  90 259 259
  95 8 8
  97 12 12
  104 20 20
  107 27 27
  114 12 12
  117 215 215
  122 20 20
  124 740 740
  125 12 12
  132 999 999
  133 31 31
  148 12 12
  163 82 82
  238 31 31
  255 466 466
  256 24 24
//