ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006465
RECORD_TITLE: ISOPENTYL FORMATE; 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$NAME: ISOPENTYL FORMATE
CH$NAME: 3-METHYLBUTYL FORMATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂O₂
CH$EXACT_MASS: 116.08373
CH$SMILES: O=COCCC(C)C
CH$IUPAC: InChI=1S/C6H12O2/c1-6(2)3-4-8-5-7/h5-6H,3-4H2,1-2H3
CH$LINK: INCHIKEY XKYICAQFSCFURC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00861734

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$SPLASH: splash10-0596-9000000000-6670002cf25236290167
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  15 1.26 13
  18 1.41 14
  26 1.55 16
  27 23.43 234
  28 15.83 158
  29 24.69 247
  31 21.78 218
  38 1.42 14
  39 22.45 225
  40 3.27 33
  41 44.35 444
  42 39.6 396
  43 47.6 476
  44 2.04 20
  45 8.45 85
  47 6.15 62
  51 1.28 13
  53 3.99 40
  54 1.95 20
  55 99.99 999
  56 5.69 57
  57 6.39 64
  69 5.49 55
  70 79.38 794
  71 5.48 55
  73 22.11 221
  74 21.31 213
//