ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008554
RECORD_TITLE: 1-ETHYLHEXYL PROPIONATE; 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$NAME: 1-ETHYLHEXYL PROPIONATE
CH$NAME: 3-OCTYL PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H22O2
CH$EXACT_MASS: 186.16198
CH$SMILES: CCCCCC(CC)OC(=O)CC
CH$IUPAC: InChI=1S/C11H22O2/c1-4-7-8-9-10(5-2)13-11(12)6-3/h10H,4-9H2,1-3H3
CH$LINK: INCHIKEY SBHJWJMMXVWHCU-UHFFFAOYSA-N
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$SPLASH: splash10-0a4i-9000000000-b451f0970c1620564026
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  27 8.94 89
  28 2.08 21
  29 27.16 272
  31 1.09 11
  39 3.06 31
  41 11.88 119
  42 3.75 38
  43 8.61 86
  55 7.89 79
  56 6.87 69
  57 99.99 999
  58 3.86 39
  69 3.49 35
  70 6.28 63
  71 5.67 57
  72 1.65 17
  75 3.71 37
  83 3.93 39
  84 1.94 19
  99 1.33 13
  112 5.76 58
  115 7.51 75
  157 2.89 29
//
