ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002412
RECORD_TITLE: 2-(I-METHOXYBENZYL)CYCLOHEXANONE; 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$NAME: 2-(I-METHOXYBENZYL)CYCLOHEXANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H18O2
CH$EXACT_MASS: 218.13068
CH$SMILES: COC(c(c2)cccc2)C(C1)C(=O)CCC1
CH$IUPAC: InChI=1S/C14H18O2/c1-16-14(11-7-3-2-4-8-11)12-9-5-6-10-13(12)15/h2-4,7-8,12,14H,5-6,9-10H2,1H3
CH$LINK: INCHIKEY LRFLORXTZQEIMB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40446089
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$SPLASH: splash10-00di-2900000000-5f1b263d875c2a232b0a
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  42 3.91 39
  51 3.08 31
  55 2.51 25
  65 2.05 21
  67 1.12 11
  77 11.93 119
  78 2.32 23
  91 9.44 94
  103 1.16 12
  105 8.08 81
  115 3.18 32
  117 2.35 24
  121 99.99 999
  122 9.51 95
  128 1.29 13
  129 1.92 19
  130 1.35 14
  185 1.45 15
  186 1.55 16
  189 1.69 17
  203 1.69 17
  218 1.22 12
//
