ACCESSION: MSBNK-Waters-WA000130
RECORD_TITLE: Ferimzone Z; 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$NAME: Ferimzone Z
CH$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$LINK: CAS 89269-64-7
CH$LINK: INCHIKEY GOWLARCWZRESHU-AQTBWJFISA-N
CH$LINK: COMPTOX DTXSID1058210

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$SPLASH: splash10-0089-1920000000-62dfa53dd53f48a7c64a
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  90 274 274
  95 12 12
  97 12 12
  104 20 20
  107 24 24
  114 12 12
  116 192 192
  122 16 16
  124 682 682
  125 12 12
  132 999 999
  133 24 24
  139 8 8
  148 12 12
  163 86 86
  238 31 31
  255 498 498
  256 20 20
//