ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002304
RECORD_TITLE: 2-(DIMETHOXYMETHYL)CYCLOPENTANONE; 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$NAME: 2-(DIMETHOXYMETHYL)CYCLOPENTANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₄O₃
CH$EXACT_MASS: 158.09429
CH$SMILES: COC(OC)C(C1)C(=O)CC1
CH$IUPAC: InChI=1S/C8H14O3/c1-10-8(11-2)6-4-3-5-7(6)9/h6,8H,3-5H2,1-2H3
CH$LINK: INCHIKEY BMUJLDCMIRTFHP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90506344

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$SPLASH: splash10-004i-9100000000-abeab23508923cc141f7
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  41 15.65 157
  42 3.1 31
  43 1.68 17
  45 3.25 33
  47 9.49 95
  53 2.11 21
  55 6.78 68
  59 2.7 27
  67 20.91 209
  68 1.76 18
  69 4.27 43
  70 4.94 49
  71 10.2 102
  75 99.99 999
  76 3.1 31
  83 1.8 18
  84 10.4 104
  85 3.06 31
  87 2.04 20
  95 8.39 84
  97 5.49 55
  98 1.76 18
  111 2.11 21
  126 9.41 94
  127 11.53 115
  158 2.04 20
//