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MassBank Record: MSBNK-Waters-WA000131

Ferimzone Z; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Waters-WA000131
RECORD_TITLE: Ferimzone Z; 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$NAME: Ferimzone Z
CH$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 30 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$SPLASH: splash10-0006-8900000000-6c07912a9415531c7ca7
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  65 31 31
  66 8 8
  80 12 12
  81 24 24
  91 999 999
  92 16 16
  94 8 8
  95 114 114
  105 39 39
  107 63 63
  115 27 27
  117 333 333
  118 8 8
  122 27 27
  123 423 423
  125 8 8
  130 12 12
  132 278 278
  133 8 8
  163 20 20
//

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