ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006506
RECORD_TITLE: 2-METHYLPENTYL BUTYRATE; 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$NAME: 2-METHYLPENTYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H20O2
CH$EXACT_MASS: 172.14633
CH$SMILES: CCCC(C)COC(=O)CCC
CH$IUPAC: InChI=1S/C10H20O2/c1-4-6-9(3)8-12-10(11)7-5-2/h9H,4-8H2,1-3H3
CH$LINK: INCHIKEY DBEUZPOZVLFSAV-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:551278
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$SPLASH: splash10-006x-9000000000-70438e048a437759c295
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  27 15.98 160
  29 9.87 99
  39 8.92 89
  40 1.43 14
  41 26.22 262
  42 10.88 109
  43 68.7 687
  44 2.14 21
  45 1.3 13
  53 1.06 11
  55 10.33 103
  56 36.86 369
  57 4.1 41
  60 3.31 33
  69 10.99 110
  70 2.16 22
  71 99.99 999
  72 5.02 50
  73 1.89 19
  83 1.63 16
  84 30.75 308
  85 9.17 92
  87 1.71 17
  88 3.8 38
  89 9.32 93
  100 5.59 56
  101 5.9 59
//
