ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006394
RECORD_TITLE: TERT-BUTYL PROPIONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: TERT-BUTYL PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄O₂
CH$EXACT_MASS: 130.09938
CH$SMILES: CCC(=O)OC(C)(C)C
CH$IUPAC: InChI=1S/C7H14O2/c1-5-6(8)9-7(2,3)4/h5H2,1-4H3
CH$LINK: INCHIKEY JAELLLITIZHOGQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20174459

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$SPLASH: splash10-0a4i-9000000000-bb978c0b4f7eebf07aa0
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  15 1.45 15
  26 1.78 18
  27 8.77 88
  29 26.04 260
  31 6.72 67
  32 1.84 18
  39 3.28 33
  41 14.16 142
  42 1.7 17
  43 4.67 47
  45 3.69 37
  46 1.2 12
  55 1.7 17
  56 11.91 119
  57 99.99 999
  58 3.82 38
  59 3.3 33
  75 4.6 46
  102 1.35 14
  115 8.41 84
//