ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002408
RECORD_TITLE: 2-(1-METHOXY-3-METHYLBUTYL)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$NAME: 2-(1-METHOXY-3-METHYLBUTYL)CYCLOHEXANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₂O₂
CH$EXACT_MASS: 198.16198
CH$SMILES: COC(CC(C)C)C(C1)C(=O)CCC1
CH$IUPAC: InChI=1S/C12H22O2/c1-9(2)8-12(14-3)10-6-4-5-7-11(10)13/h9-10,12H,4-8H2,1-3H3
CH$LINK: INCHIKEY VYNARGPIYFNYEH-UHFFFAOYSA-N

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$SPLASH: splash10-0fry-9400000000-8461628784313398a15b
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  42 36.81 368
  43 25.66 257
  45 55.29 553
  53 7.25 73
  55 15.97 160
  57 6.97 70
  59 42.07 421
  67 12.27 123
  69 85.8 858
  70 7.79 78
  71 19.91 199
  81 61.44 614
  82 6.57 66
  85 21.16 212
  95 7.12 71
  97 15.74 157
  98 25.32 253
  100 12.85 129
  101 99.99 999
  102 6.54 65
  109 11.18 112
  111 13.11 131
  123 6.95 70
  141 54.08 541
  166 19.26 193
  169 11.36 114
  198 10.11 101
//