ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001495
RECORD_TITLE: PROPYL PROPIONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: PROPYL PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂O₂
CH$EXACT_MASS: 116.08373
CH$SMILES: CCCOC(=O)CC
CH$IUPAC: InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3
CH$LINK: INCHIKEY MCSINKKTEDDPNK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4042337

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-056r-9000000000-b0a31f4b7c2db804c2a6
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  15 1.57 16
  26 2.58 26
  27 18.68 187
  28 5.8 58
  29 37.71 377
  30 1.16 12
  31 5.63 56
  39 3.64 36
  41 10.77 108
  42 9.78 98
  43 23.57 236
  55 1.12 11
  56 1.92 19
  57 99.99 999
  58 3.77 38
  59 5.75 58
  73 1.02 10
  74 3.62 36
  75 44.38 444
  76 1.61 16
  86 1.03 10
  87 8.7 87
//