ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005150
RECORD_TITLE: 2-OXO-4-PHENYL-1,2-DIHYDROQUINOLIN-3-YLOXYACETIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, FAC. OF SCIENCE AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 2-OXO-4-PHENYL-1,2-DIHYDROQUINOLIN-3-YLOXYACETIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H13NO4
CH$EXACT_MASS: 295.08446
CH$SMILES: OC(=O)COC(C(=O)1)=C(c(c3)cccc3)c(c2)c(ccc2)N1
CH$IUPAC: InChI=1S/C17H13NO4/c19-14(20)10-22-16-15(11-6-2-1-3-7-11)12-8-4-5-9-13(12)18-17(16)21/h1-9H,10H2,(H,18,21)(H,19,20)
CH$LINK: INCHIKEY CXHYJXBDMMINFW-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-HX-100
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: splash10-0udi-0390000000-6af66c7bc8cd5a3a134d
PK$NUM_PEAK: 102
PK$PEAK: m/z int. rel.int.
  39 1.31 13
  44 0.91 9
  50 0.84 8
  51 1.77 18
  52 0.61 6
  62 0.79 8
  63 2.15 22
  64 0.56 6
  65 0.59 6
  74 0.67 7
  75 1.73 17
  76 3.71 37
  77 6.2 62
  78 0.8 8
  81 1 10
  82 1.87 19
  86 0.61 6
  87 0.92 9
  88 1.94 19
  89 2.72 27
  90 1.85 19
  91 1.18 12
  95 2.04 20
  96 0.68 7
  100 0.55 6
  101 2.84 28
  102 1.91 19
  103 0.78 8
  104 0.75 8
  109 0.64 6
  110 1 10
  113 0.82 8
  114 0.81 8
  115 1.43 14
  116 1.2 12
  124 6.71 67
  125 1.71 17
  126 1.89 19
  127 2.23 22
  128 1.32 13
  139 2 20
  140 1.28 13
  150 1.27 13
  151 4.42 44
  152 8.83 88
  153 4.05 41
  154 1.16 12
  163 3.91 39
  164 4.39 44
  165 9.51 95
  166 2.16 22
  174 0.64 6
  175 0.96 10
  176 1.87 19
  177 3.11 31
  178 4.61 46
  179 7.99 80
  180 13.31 133
  181 3.39 34
  188 0.52 5
  189 0.96 10
  190 8.58 86
  191 5.82 58
  192 2.2 22
  193 3.25 33
  194 2.2 22
  201 1.15 12
  202 8.52 85
  203 2.66 27
  204 5.34 53
  205 1.62 16
  206 1.52 15
  207 2.69 27
  208 20.46 205
  209 3.69 37
  215 1.35 14
  216 0.59 6
  218 0.81 8
  219 2.51 25
  220 32.51 325
  221 9.23 92
  222 7.62 76
  223 1.67 17
  232 8.28 83
  233 15.65 157
  234 4.41 44
  235 2.31 23
  236 14.34 143
  237 8.98 90
  238 1.79 18
  248 6.07 61
  249 5.73 57
  250 99.99 999
  251 27.22 272
  252 3.69 37
  266 0.61 6
  277 6.16 62
  278 1.46 15
  294 1.79 18
  295 26.04 260
  296 5.39 54
  297 0.8 8
//
