ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000364
RECORD_TITLE: 4'-METHOXYCHALCONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: 4'-METHOXYCHALCONE
CH$NAME: 1-(4-METHOXYPHENYL)-3-PHENYL-2-PROPEN-1-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₄O₂
CH$EXACT_MASS: 238.09938
CH$SMILES: COc(c2)ccc(c2)C(=O)C=Cc(c1)cccc1
CH$IUPAC: InChI=1S/C16H14O2/c1-18-15-10-8-14(9-11-15)16(17)12-7-13-5-3-2-4-6-13/h2-12H,1H3/b12-7+
CH$LINK: INCHIKEY KJHHAPASNNVTSN-KPKJPENVSA-N

AC$INSTRUMENT: HITACHI RMU-6D
AC$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$SPLASH: splash10-002r-9640000000-b17626c6d451f2b04fe7
PK$NUM_PEAK: 92
PK$PEAK: m/z int. rel.int.
  14 2.5 25
  15 3 30
  16 1 10
  17 0.4 4
  18 16 160
  27 9 90
  28 61.5 615
  29 0.4 4
  32 28 280
  33 2.5 25
  37 2 20
  38 0.4 4
  39 7.5 75
  40 1 10
  42 1.5 15
  45 0.5 5
  46 2 20
  47 1 10
  48 1.5 15
  50 3.1 31
  51 42 420
  52 6 60
  53 3 30
  54 0.1 1
  56 1.5 15
  61 2 20
  62 11 110
  63 1.4 14
  64 2 20
  65 1 10
  74 5 50
  75 0.4 4
  76 7 70
  77 82 820
  81 1 10
  82 0.1 1
  83 1 10
  84 1 10
  85 1 10
  86 0.1 1
  87 2 20
  92 24 240
  93 2.5 25
  103 1.8 18
  104 2 20
  105 37 370
  106 33 330
  107 1.7 17
  108 4 40
  109 1 10
  115 2 20
  116 0.1 1
  117 1 10
  118 1 10
  127 2 20
  131 1.1 11
  132 0.5 5
  133 1.5 15
  135 99.99 999
  136 0.75 8
  137 1 10
  140 1 10
  142 1.5 15
  149 0.2 2
  150 17.5 175
  151 2 20
  152 3 30
  153 0.1 1
  160 2 20
  161 1 10
  177 1 10
  178 0.1 1
  179 2 20
  180 2 20
  194 2 20
  195 0.8 8
  196 1 10
  205 1 10
  206 1 10
  207 0.4 4
  208 1 10
  209 3 30
  210 8.5 85
  211 0.1 1
  222 1 10
  223 11 110
  224 1 10
  236 0.1 1
  237 46.5 465
  238 73 730
  239 7 70
  240 1.5 15
//