ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002216
RECORD_TITLE: CYCLOPENTYLACETIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: CYCLOPENTYLACETIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₄O₂
CH$EXACT_MASS: 142.09938
CH$SMILES: COC(=O)CC(C1)CCC1
CH$IUPAC: InChI=1S/C8H14O2/c1-10-8(9)6-7-4-2-3-5-7/h7H,2-6H2,1H3
CH$LINK: INCHIKEY ILSNISVKFYYCCE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90500903

AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-002f-9100000000-c1f3ce52422c2e0aa2cc
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  38 2 20
  39 32.6 326
  41 71.8 718
  42 1.3 13
  43 82.9 829
  50 2.5 25
  51 1 10
  52 0.25 3
  53 13.5 135
  54 16 160
  55 66.3 663
  56 0.5 5
  58 2.5 25
  61 1.5 15
  63 1.5 15
  66 0.55 6
  67 38.6 386
  68 16.5 165
  69 19 190
  70 0.2 2
  71 1.5 15
  72 5.5 55
  74 76.8 768
  75 99.99 999
  76 5 50
  78 1.5 15
  79 5 50
  80 0.15 2
  81 10 100
  82 16 160
  83 38.6 386
  84 0.3 3
  85 3 30
  86 1 10
  87 10.5 105
  88 0.25 3
  91 1 10
  93 1.5 15
  95 2 20
  99 3.06 31
  100 5 50
  101 3 30
  109 3.5 35
  110 0.45 5
  111 39.6 396
  112 3 30
  113 29.1 291
  114 0.5 5
  127 3.5 35
  142 6 60
  143 1.5 15
//