ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002214
RECORD_TITLE: CYCLOPENTANECARBOXYLIC 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$NAME: CYCLOPENTANECARBOXYLIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₂O₂
CH$EXACT_MASS: 128.08373
CH$SMILES: COC(=O)C(C1)CCC1
CH$IUPAC: InChI=1S/C7H12O2/c1-9-7(8)6-4-2-3-5-6/h6H,2-5H2,1H3
CH$LINK: INCHIKEY IIHIJFJSXPDTNO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50196806

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$SPLASH: splash10-00kr-9100000000-c00e2b8f297d67e56996
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  42 1.2 12
  53 3 30
  55 14.5 145
  56 0.09 1
  65 0.9 9
  66 1.8 18
  67 12.4 124
  68 1 10
  69 43 430
  70 2.4 24
  85 2.1 21
  87 99.99 999
  88 4.8 48
  95 2.4 24
  96 2.1 21
  97 1.57 16
  98 1.5 15
  99 0.9 9
  100 13.9 139
  101 0.18 2
  113 1.5 15
  127 2.4 24
  128 8.7 87
  129 1.8 18
//