ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010030
RECORD_TITLE: 4,4-DIMETHOXY-2-METHYL-2-BUTENAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 4,4-DIMETHOXY-2-METHYL-2-BUTENAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H12O3
CH$EXACT_MASS: 144.07864
CH$SMILES: O=CC(C)=CC(OC)OC
CH$IUPAC: InChI=1S/C7H12O3/c1-6(5-8)4-7(9-2)10-3/h4-5,7H,1-3H3/b6-4+
CH$LINK: INCHIKEY UKYNGIDUKUFOQS-GQCTYLIASA-N
AC$INSTRUMENT: JEOL JMS-D-300
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: splash10-03y1-9400000000-38ac41659ac5a40f1a54
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  26 1.6 16
  27 13 130
  28 25.3 253
  29 2.14 21
  30 1.8 18
  31 6.8 68
  32 6.2 62
  33 0.25 3
  37 1.4 14
  38 3.3 33
  39 28.2 282
  40 0.45 5
  41 27.3 273
  42 6.6 66
  43 6.4 64
  44 0.14 1
  45 60.1 601
  46 1.6 16
  47 11.7 117
  50 0.21 2
  51 3.8 38
  52 1.6 16
  53 29.5 295
  54 0.52 5
  55 35.7 357
  56 6.2 62
  57 3.2 32
  58 0.31 3
  59 16.8 168
  67 1.9 19
  68 3.1 31
  69 5.45 55
  70 7.1 71
  71 2.6 26
  73 3.2 32
  75 6.77 68
  76 3.4 34
  81 13.9 139
  82 3.1 31
  83 1.12 11
  84 27.6 276
  85 29.6 296
  86 1.9 19
  97 1.92 19
  98 5.9 59
  99 2.1 21
  101 1.8 18
  112 0.59 6
  113 99.99 999
  114 9.5 95
  115 67.5 675
  116 0.82 8
  129 8 80
  133 1 10
  143 2 20
  144 2.4 24
//
