ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005135
RECORD_TITLE: 1-ACETYL-2-HYDROXY-4-BENZYLOXYBENZENE; 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$NAME: 1-ACETYL-2-HYDROXY-4-BENZYLOXYBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₄O₃
CH$EXACT_MASS: 242.09429
CH$SMILES: CC(=O)c(c1)c(O)cc(OCc(c2)cccc2)c1
CH$IUPAC: InChI=1S/C15H14O3/c1-11(16)14-8-7-13(9-15(14)17)18-10-12-5-3-2-4-6-12/h2-9,17H,10H2,1H3
CH$LINK: INCHIKEY AGQNLHOTLJFJCG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40309246

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$SPLASH: splash10-0006-9030000000-3ed128357bdb65415452
PK$NUM_PEAK: 73
PK$PEAK: m/z int. rel.int.
  38 0.45 5
  39 2.76 28
  40 0.35 4
  41 0.99 10
  42 0.26 3
  43 2.95 30
  50 0.76 8
  51 1.98 20
  52 1.06 11
  53 0.65 7
  55 0.39 4
  56 0.17 2
  57 0.44 4
  61 0.33 3
  62 0.47 5
  63 1.95 20
  64 0.8 8
  65 8.1 81
  66 0.73 7
  67 0.52 5
  68 0.25 3
  69 0.41 4
  70 0.38 4
  71 0.31 3
  75 0.29 3
  76 0.28 3
  77 1.59 16
  78 0.33 3
  79 0.51 5
  80 0.41 4
  81 0.19 2
  82 0.3 3
  83 0.22 2
  85 0.16 2
  89 1.5 15
  90 0.85 9
  91 99.99 999
  92 8.57 86
  93 0.54 5
  95 0.51 5
  97 0.18 2
  105 0.91 9
  108 1.26 13
  109 0.25 3
  111 0.27 3
  113 0.27 3
  115 0.5 5
  118 0.29 3
  120 0.29 3
  121 0.84 8
  123 1.03 10
  128 0.33 3
  129 0.36 4
  136 0.3 3
  137 0.7 7
  141 0.36 4
  149 0.57 6
  152 0.37 4
  153 0.24 2
  157 0.27 3
  164 0.42 4
  165 0.25 3
  181 0.25 3
  197 0.28 3
  198 0.26 3
  199 0.8 8
  200 0.33 3
  225 0.24 2
  227 2.32 23
  228 0.47 5
  242 39.91 399
  243 6.68 67
  244 0.92 9
//