ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002256
RECORD_TITLE: 2-(1-METHOXYBENZYL)CYCLOPENTANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 2-(1-METHOXYBENZYL)CYCLOPENTANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H16O2
CH$EXACT_MASS: 204.11503
CH$SMILES: COC(c(c2)cccc2)C(C1)C(=O)CC1
CH$IUPAC: InChI=1S/C13H16O2/c1-15-13(10-6-3-2-4-7-10)11-8-5-9-12(11)14/h2-4,6-7,11,13H,5,8-9H2,1H3
CH$LINK: INCHIKEY JECPKECYQZJMRB-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-D-3000
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: splash10-00di-2900000000-d8d799df3f792d0d2c43
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  40 2.76 28
  42 1.69 17
  44 1.08 11
  51 2.28 23
  55 1.13 11
  65 1.69 17
  77 9.91 99
  78 2 20
  91 8.14 81
  105 4.01 40
  115 4.23 42
  116 2.23 22
  117 2.63 26
  121 99.99 999
  122 9.3 93
  128 1.46 15
  129 2.28 23
  130 2.79 28
  171 2.4 24
  172 2.81 28
  204 0.6 6
//
