ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009141
RECORD_TITLE: 2,2-DIETHYL-1,3-PROPANEDIOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 2,2-DIETHYL-1,3-PROPANEDIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H16O2
CH$EXACT_MASS: 132.11503
CH$SMILES: CCC(CC)(CO)CO
CH$IUPAC: InChI=1S/C7H16O2/c1-3-7(4-2,5-8)6-9/h8-9H,3-6H2,1-2H3
CH$LINK: INCHIKEY XRVCFZPJAHWYTB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50150923
AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0a59-9000000000-26466a90f5874f1b1bac
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  15 2.14 21
  19 1.08 11
  26 1.82 18
  27 20.66 207
  28 1.94 19
  29 33.52 335
  30 1.84 18
  31 48.57 486
  39 14.33 143
  40 2.59 26
  41 58.42 584
  42 7.76 78
  43 28.04 280
  44 2.29 23
  45 21.27 213
  51 1.82 18
  53 7.23 72
  54 3.79 38
  55 76.65 767
  56 11.23 112
  57 20.14 201
  59 99.99 999
  60 3.23 32
  67 5.14 51
  68 1.64 16
  69 27.75 278
  70 3.08 31
  71 9.65 97
  73 1 10
  82 1.81 18
  83 21.86 219
  84 87.91 879
  85 14.77 148
  100 3.21 32
  101 15.21 152
//
