ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005811
RECORD_TITLE: 3-METHYL-2-PENTYL-2-CYCLOPENTENONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: 3-METHYL-2-PENTYL-2-CYCLOPENTENONE
CH$NAME: 3-METHYL2-PENTYL-2-CYCLOPENTENE-1-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₈O
CH$EXACT_MASS: 166.13577
CH$SMILES: CCCCCC(=C(C)1)C(=O)CC1
CH$IUPAC: InChI=1S/C11H18O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h3-8H2,1-2H3
CH$LINK: INCHIKEY YCIXWYOBMVNGTB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4051584

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-02hj-9700000000-fbe45b6deff4c436a788
PK$NUM_PEAK: 67
PK$PEAK: m/z int. rel.int.
  27 1.1 11
  29 11.42 114
  39 1.06 11
  41 28.04 280
  42 1.83 18
  43 24.35 244
  53 36.72 367
  54 38.81 388
  55 47.46 475
  56 4.52 45
  57 10.18 102
  65 1.18 12
  66 4.62 46
  67 56.9 569
  68 32.41 324
  69 14.88 149
  70 6.24 62
  71 7.32 73
  77 3.72 37
  78 1 10
  79 15.78 158
  80 12.49 125
  81 66.8 668
  82 77.47 775
  83 13.83 138
  84 9.72 97
  85 2.08 21
  91 10.55 106
  92 3.11 31
  93 14.22 142
  94 9.88 99
  95 80.92 809
  96 23.65 237
  97 15.18 152
  98 7.26 73
  103 1.12 11
  104 4.62 46
  105 1.86 19
  106 4.88 49
  107 3.86 39
  108 3.45 35
  109 54.26 543
  110 83.8 838
  111 56.71 567
  112 4.13 41
  113 1.03 10
  119 31.65 317
  120 5.92 59
  121 6.48 65
  122 5.75 58
  123 79.86 799
  124 28.99 290
  125 4.22 42
  133 8.26 83
  134 1 10
  135 2.16 22
  136 1.01 10
  137 99.99 999
  138 24.68 247
  139 1.94 19
  148 5.92 59
  149 1.01 10
  151 14.07 141
  152 1.3 13
  165 6.18 62
  166 61.2 612
  167 6.12 61
//