ACCESSION: MSBNK-Waters-WA000128
RECORD_TITLE: Ferimzone E; LC-ESI-QQ; MS2; CE:40 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 40 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$SPLASH: splash10-0006-9300000000-eb5892bc4f8e9dac90de
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  65 176 176
  66 27 27
  77 8 8
  79 20 20
  82 67 67
  83 16 16
  90 999 999
  92 16 16
  94 20 20
  95 223 223
  104 24 24
  106 98 98
  115 31 31
  116 231 231
  118 8 8
  122 12 12
  123 161 161
  130 12 12
  131 39 39
//