ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005438
RECORD_TITLE: 3,5-BIS(2-HYDROXYETHYL)CYCLOPENTENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HIRAMA M, TOHOKU UNIV. FACULTY OF SCIENCE DEPT. OF CHEMISTRY YUKIBUNSEKI
LICENSE: CC BY-NC-SA
CH$NAME: 3,5-BIS(2-HYDROXYETHYL)CYCLOPENTENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H16O2
CH$EXACT_MASS: 156.11503
CH$SMILES: OCCC(C=1)CC(CCO)C1
CH$IUPAC: InChI=1S/C9H16O2/c10-5-3-8-1-2-9(7-8)4-6-11/h1-2,8-11H,3-7H2
CH$LINK: INCHIKEY UGHQHTMVEARZSS-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 14 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-002f-6900000000-53ff627b06ea1d222edb
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  32 2 20
  58 4.1 41
  67 12.3 123
  79 1.23 12
  81 11.6 116
  93 99.99 999
  94 20.6 206
  105 0.75 8
  106 7.8 78
  107 6.8 68
  108 6.9 69
  109 1.01 10
  110 16.2 162
  111 15.4 154
  112 6.6 66
  120 8.1 81
  126 66.4 664
  127 6.5 65
  138 57.6 576
  156 0.25 3
  157 1.9 19
//
