ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003571
RECORD_TITLE: 4-DODECYLOXY-2-HYDROXY-BENZOPHENONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 4-DODECYLOXY-2-HYDROXY-BENZOPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C25H34O3
CH$EXACT_MASS: 382.25079
CH$SMILES: CCCCCCCCCCCCOc(c2)cc(O)c(c2)C(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C25H34O3/c1-2-3-4-5-6-7-8-9-10-14-19-28-22-17-18-23(24(26)20-22)25(27)21-15-12-11-13-16-21/h11-13,15-18,20,26H,2-10,14,19H2,1H3
CH$LINK: INCHIKEY ARVUDIQYNJVQIW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6062755
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-08fr-8492000000-c587d476df790d75453e
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  27 4.25 43
  28 4.5 45
  29 21.56 216
  39 2.23 22
  41 38.07 381
  42 4.28 43
  43 49.27 493
  55 28.28 283
  56 2.73 27
  57 20.65 207
  69 11.36 114
  71 6.38 64
  77 14.41 144
  81 2.86 29
  83 3.07 31
  105 45.26 453
  106 2.3 23
  107 2.85 29
  108 2.4 24
  136 4.72 47
  137 39.33 393
  138 2.72 27
  145 4.39 44
  185 3 30
  186 3.95 40
  197 4.71 47
  212 10.14 101
  213 99.99 999
  214 85.28 853
  215 19.46 195
  227 7.03 70
  255 2.98 30
  380 2.62 26
  381 14.19 142
  382 46.34 463
  383 11.61 116
//
