ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007670
RECORD_TITLE: ACETIC ACID (3-METHOXY-3-METHYL)BUTYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: ACETIC ACID (3-METHOXY-3-METHYL)BUTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₆O₃
CH$EXACT_MASS: 160.10994
CH$SMILES: COC(C)(C)CCOC(C)=O
CH$IUPAC: InChI=1S/C8H16O3/c1-7(9)11-6-5-8(2,3)10-4/h5-6H2,1-4H3
CH$LINK: INCHIKEY RYNQKSJRFHJZTK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30145852

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-00dl-9000000000-58bca6bbe50c3a21365d
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  15 7.04 70
  27 4.69 47
  28 1.73 17
  29 6.54 65
  31 1.73 17
  33 1.36 14
  39 5.56 56
  40 1.3 13
  41 19.38 194
  42 5.74 57
  43 52.16 522
  44 1.54 15
  45 5.99 60
  53 1.98 20
  55 19.63 196
  56 2.59 26
  57 2.47 25
  67 1.85 19
  68 1.98 20
  69 15.8 158
  70 2.04 20
  71 1.6 16
  72 1.23 12
  73 99.99 999
  74 4.38 44
  85 31.36 314
  86 2.22 22
//