ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004100
RECORD_TITLE: 1-(4-TETRAHYDROPYRANYL)-3-CYCLOHEXENE-1-CARBOXYLIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 1-(4-TETRAHYDROPYRANYL)-3-CYCLOHEXENE-1-CARBOXYLIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H18O3
CH$EXACT_MASS: 210.12559
CH$SMILES: [H]C(C2)=C([H])CC(C2)(C(O)=O)C(C1)CCOC1
CH$IUPAC: InChI=1S/C12H18O3/c13-11(14)12(6-2-1-3-7-12)10-4-8-15-9-5-10/h1-2,10H,3-9H2,(H,13,14)
CH$LINK: INCHIKEY YQPBVJDSXMVFOX-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI RMU-6E
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: splash10-0a7i-9200000000-a493984272e809c6433c
PK$NUM_PEAK: 71
PK$PEAK: m/z int. rel.int.
  27 14.7 147
  28 5.5 55
  29 25.7 257
  31 5.3 53
  39 19.6 196
  40 2.6 26
  41 32.7 327
  42 0.25 3
  43 18.1 181
  44 2.8 28
  45 3.4 34
  50 0.15 2
  51 6.2 62
  52 3.6 36
  53 15.6 156
  54 0.94 9
  55 85.1 851
  56 7.2 72
  57 12.6 126
  65 0.68 7
  66 4 40
  67 25.9 259
  68 14.3 143
  69 0.44 4
  77 17.3 173
  78 10.3 103
  79 50.2 502
  80 1.26 13
  81 18 180
  82 2.8 28
  83 99.99 999
  84 0.65 7
  85 13 130
  86 10.6 106
  91 18.4 184
  92 0.61 6
  93 7.9 79
  94 2.6 26
  95 2.3 23
  96 0.42 4
  97 4.5 45
  103 1.9 19
  104 2 20
  105 0.91 9
  106 2.7 27
  107 8.6 86
  108 27.9 279
  109 0.43 4
  110 1.6 16
  111 2.5 25
  117 6.4 64
  118 0.54 5
  119 8.5 85
  120 6.2 62
  121 4.7 47
  122 0.15 2
  123 9.3 93
  124 6.9 69
  125 28.4 284
  126 2.33 23
  127 2.3 23
  131 1.6 16
  133 3.7 37
  135 0.19 2
  136 1.4 14
  146 1.5 15
  147 1.2 12
  164 4 40
  165 5.8 58
  192 5.6 56
  210 6 60
//
