ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009780
RECORD_TITLE: 2,2-DIMETHYL-3-(2-METHYL-1-PROPENYL)CYCLOPROPANECARBOXYLIC ACID; 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$NAME: 2,2-DIMETHYL-3-(2-METHYL-1-PROPENYL)CYCLOPROPANECARBOXYLIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H16O2
CH$EXACT_MASS: 168.11503
CH$SMILES: CC(C)=CC(C(C(O)=O)1)C(C)(C)1
CH$IUPAC: InChI=1S/C10H16O2/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3,(H,11,12)
CH$LINK: INCHIKEY XLOPRKKSAJMMEW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30871866
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$SPLASH: splash10-00yi-9700000000-643c33a73ac721dc4aa2
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  27 10.8 108
  29 9.2 92
  39 16.3 163
  41 3.79 38
  43 32.7 327
  45 3.9 39
  51 3.9 39
  53 1.1 11
  55 18.2 182
  56 3.1 31
  57 8.5 85
  59 0.47 5
  65 6.1 61
  67 22.4 224
  68 3.3 33
  69 3.21 32
  77 7.8 78
  79 14.9 149
  81 63.5 635
  82 0.61 6
  83 6.6 66
  85 3.3 33
  91 13.5 135
  93 0.72 7
  95 12.4 124
  97 3.4 34
  100 3.9 39
  105 0.31 3
  107 22.5 225
  108 5.2 52
  109 7 70
  111 0.77 8
  112 3.3 33
  123 99.99 999
  124 11 110
  125 2.13 21
  135 4.7 47
  153 27.2 272
  168 36.3 363
  169 3.6 36
//
