ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008321
RECORD_TITLE: 4-ANILINO-7-CHLORO QUINAZOLINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA
CH$NAME: 4-ANILINO-7-CHLORO QUINAZOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H10ClN3
CH$EXACT_MASS: 255.05633
CH$SMILES: Clc(c3)cc(n2)c(c3)c(nc2)Nc(c1)cccc1
CH$IUPAC: InChI=1S/C14H10ClN3/c15-10-6-7-12-13(8-10)16-9-17-14(12)18-11-4-2-1-3-5-11/h1-9H,(H,16,17,18)
CH$LINK: INCHIKEY GZLRRAAMOVHEKU-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI M-60
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0zfr-3290000000-9d936bd8386a11d803ae
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
  39 4.75 48
  50 2.75 28
  51 9.13 91
  52 1.38 14
  63 2.59 26
  64 1.59 16
  65 7.56 76
  66 2.5 25
  74 1.66 17
  75 3.38 34
  76 1.21 12
  77 14.38 144
  78 1.24 12
  83 1.81 18
  88 0.47 5
  90 1.15 12
  91 0.81 8
  92 10.92 109
  93 4.77 48
  96 3.83 38
  97 4.2 42
  100 8.38 84
  101 1.37 14
  102 0.7 7
  109 1.38 14
  110 1.34 13
  113 1.68 17
  114 5.25 53
  115 1.8 18
  127 6.6 66
  128 2.47 25
  136 6.57 66
  137 1.07 11
  138 2.16 22
  139 0.69 7
  141 0.1 1
  142 0.21 2
  152 0.62 6
  163 2.87 29
  164 0.38 4
  165 1.41 14
  166 0.33 3
  191 0.9 9
  192 1.96 20
  193 0.54 5
  202 1.38 14
  218 1.1 11
  219 5.13 51
  220 1.16 12
  237 1.98 20
  239 0.33 3
  253 6.15 62
  254 99.99 999
  255 38 380
  256 35.26 353
  257 11.59 116
  258 1.56 16
//
