ACCESSION: MSBNK-RIKEN-PR010106
RECORD_TITLE: Chalcone; GC-EI-TOF; MS; 1 MEOX; BP:77
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: Chalcone
CH$NAME: Benzylideneacetophenone
CH$NAME: 1,3-Diphenyl-2-propen-1-one
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₁₅H₁₂O
CH$EXACT_MASS: 208.08882
CH$SMILES: O=C(C=Cc(c2)cccc2)c(c1)cccc1
CH$IUPAC: InChI=1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+
CH$LINK: CAS 94-41-7
CH$LINK: KEGG C01484
CH$LINK: NIKKAJI J4.699J
CH$LINK: PUBCHEM 4654
CH$LINK: INCHIKEY DQFBYFPFKXHELB-VAWYXSNFSA-N
CH$LINK: COMPTOX DTXSID20873536

AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies
AC$INSTRUMENT_TYPE: GC-EI-TOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$CHROMATOGRAPHY: RETENTION_INDEX 2040.3
AC$CHROMATOGRAPHY: RETENTION_TIME 489.097 sec

MS$FOCUSED_ION: BASE_PEAK 77
MS$FOCUSED_ION: DERIVATIVE_FORM C16H15NO
MS$FOCUSED_ION: DERIVATIVE_MASS 237.11536
MS$FOCUSED_ION: DERIVATIVE_TYPE 1 MEOX
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-056r-8970000000-b92152ec5263740742f5
PK$NUM_PEAK: 125
PK$PEAK: m/z int. rel.int.
  60 1 1
  61 10 10
  62 41 41
  63 128 128
  64 24 24
  65 52 52
  66 3 3
  70 2 2
  73 2 2
  74 74 74
  75 74 74
  76 217 217
  77 999 999
  78 137 137
  79 15 15
  80 2 2
  81 5 5
  82 24 24
  83 9 9
  84 1 1
  85 2 2
  86 10 10
  87 20 20
  88 38 38
  89 108 108
  90 41 41
  91 152 152
  92 13 13
  93 4 4
  94 12 12
  95 16 16
  96 5 5
  97 2 2
  98 7 7
  99 8 8
  100 8 8
  101 71 71
  102 373 373
  103 448 448
  104 151 151
  105 46 46
  106 4 4
  107 1 1
  108 3 3
  109 2 2
  110 3 3
  111 3 3
  113 11 11
  114 9 9
  115 42 42
  116 8 8
  118 4 4
  119 22 22
  120 3 3
  121 38 38
  122 3 3
  125 1 1
  126 7 7
  127 11 11
  128 439 439
  129 76 76
  130 15 15
  131 1 1
  133 5 5
  134 21 21
  135 2 2
  137 2 2
  138 1 1
  139 13 13
  140 3 3
  144 2 2
  145 1 1
  149 1 1
  150 7 7
  151 13 13
  152 17 17
  153 4 4
  154 1 1
  160 9 9
  161 2 2
  162 3 3
  163 13 13
  164 11 11
  165 77 77
  166 15 15
  167 5 5
  168 1 1
  173 1 1
  174 1 1
  175 3 3
  176 18 18
  177 15 15
  178 59 59
  179 32 32
  180 9 9
  181 1 1
  186 1 1
  187 4 4
  188 6 6
  189 52 52
  190 32 32
  191 54 54
  192 12 12
  193 6 6
  194 3 3
  201 1 1
  202 6 6
  203 19 19
  204 151 151
  205 224 224
  206 712 712
  207 128 128
  208 12 12
  209 1 1
  217 1 1
  218 2 2
  219 1 1
  220 12 12
  221 7 7
  222 3 3
  235 2 2
  236 493 493
  237 191 191
  238 27 27
  239 2 2
//