ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002273
RECORD_TITLE: 3-METHOXYHEPTANOPHENONE; 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$NAME: 3-METHOXYHEPTANOPHENONE
CH$NAME: 3-METHOXY-1-PHENYL-1-HEPTANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H20O2
CH$EXACT_MASS: 220.14633
CH$SMILES: CCCCC(OC)CC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C14H20O2/c1-3-4-10-13(16-2)11-14(15)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3
CH$LINK: INCHIKEY JOWQOLYPYCSOFE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70525553
AC$INSTRUMENT: JEOL JMS-D-3000
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: splash10-0a4i-4900000000-18d2d006ac8ce13e8a03
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  41 7.57 76
  43 2.41 24
  44 3.38 34
  45 8.11 81
  50 1.59 16
  51 7.33 73
  55 5.52 55
  57 2.76 28
  58 1.27 13
  69 9.27 93
  71 3.64 36
  76 1.62 16
  77 31.76 318
  78 3.19 32
  81 1.97 20
  85 5.29 53
  91 2.76 28
  100 1.98 20
  101 6.58 66
  105 99.99 999
  106 8.37 84
  111 2.49 25
  115 1.93 19
  117 1.59 16
  120 5.26 53
  131 2.81 28
  132 1.43 14
  133 2.32 23
  134 1.82 18
  145 3.91 39
  146 1.22 12
  157 3.42 34
  159 6.61 66
  163 12.17 122
  164 1.51 15
  182 1.95 20
  184 1.53 15
  188 11.99 120
  189 2.28 23
  205 3.86 39
  220 1.18 12
//
