ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009531
RECORD_TITLE: 6-METHOXY-4-CHLOROQUINALIDINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA

CH$NAME: 6-METHOXY-4-CHLOROQUINALIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₀ClNO
CH$EXACT_MASS: 207.04509
CH$SMILES: COc(c2)cc(c(Cl)1)c(c2)nc(C)c1
CH$IUPAC: InChI=1S/C11H10ClNO/c1-7-5-10(12)9-6-8(14-2)3-4-11(9)13-7/h3-6H,1-2H3
CH$LINK: INCHIKEY WABDZSKKLDCIRM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10346168

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0a4i-2950000000-b371aa6905c4a211f0c4
PK$NUM_PEAK: 61
PK$PEAK: m/z int. rel.int.
  15 5.52 55
  18 1.09 11
  38 1 10
  39 1.82 18
  50 3.52 35
  51 5.45 55
  52 2.43 24
  61 1.24 12
  62 6.57 66
  63 4.27 43
  64 1.01 10
  73 1.26 13
  74 4.49 45
  75 7.13 71
  76 3.06 31
  77 6.88 69
  78 2.46 25
  80 1.1 11
  86 1.87 19
  87 4.43 44
  88 6 60
  89 1.79 18
  98 1.34 13
  99 3.09 31
  100 2.49 25
  101 12.35 124
  102 14.49 145
  103 2.87 29
  113 1.88 19
  114 3.24 32
  115 1.89 19
  116 4.9 49
  123 1.01 10
  127 2.81 28
  128 16.4 164
  129 10.64 106
  130 1.3 13
  135 1.27 13
  137 5.91 59
  138 1.24 12
  139 2.07 21
  140 4.46 45
  141 1.89 19
  142 1.94 19
  163 1.35 14
  164 62.58 626
  165 6.93 69
  166 20.27 203
  167 2.08 21
  172 3.95 40
  177 4.33 43
  178 2.26 23
  179 1.72 17
  192 35.14 351
  193 4.8 48
  194 11.48 115
  195 1.48 15
  207 99.99 999
  208 13.51 135
  209 32.8 328
  210 4.29 43
//