ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003568
RECORD_TITLE: 2-HYDROXY-4-N-OCTYLOXY-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$NAME: 2-HYDROXY-4-N-OCTYLOXY-BENZOPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C21H26O3
CH$EXACT_MASS: 326.18819
CH$SMILES: CCCCCCCCOc(c2)cc(O)c(c2)C(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C21H26O3/c1-2-3-4-5-6-10-15-24-18-13-14-19(20(22)16-18)21(23)17-11-8-7-9-12-17/h7-9,11-14,16,22H,2-6,10,15H2,1H3
CH$LINK: INCHIKEY QUAMTGJKVDWJEQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9027441
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: splash10-03fr-8594000000-d60f715ccefcfc1f13f9
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  27 6.43 64
  29 22.06 221
  39 3.67 37
  41 31.44 314
  42 3 30
  43 33.61 336
  51 3.01 30
  53 3.38 34
  55 14.23 142
  57 16.13 161
  69 8.25 83
  71 5.82 58
  77 18.05 181
  81 3.49 35
  105 39.73 397
  106 2.83 28
  107 2.88 29
  108 2.95 30
  128 2.47 25
  136 4.93 49
  137 39.55 396
  138 3.28 33
  141 2.54 25
  145 4.29 43
  185 2.33 23
  186 3.82 38
  197 4.48 45
  212 9.89 99
  213 99.99 999
  214 60.94 609
  215 10.59 106
  324 3.74 37
  325 18.16 182
  326 52.06 521
  327 11.43 114
//
