ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006975
RECORD_TITLE: 1-METHYLPENTYL ISOBUTYRATE; 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$NAME: 1-METHYLPENTYL ISOBUTYRATE
CH$NAME: 2-HEXYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H20O2
CH$EXACT_MASS: 172.14633
CH$SMILES: CCCCC(C)OC(=O)C(C)C
CH$IUPAC: InChI=1S/C10H20O2/c1-5-6-7-9(4)12-10(11)8(2)3/h8-9H,5-7H2,1-4H3
CH$LINK: INCHIKEY QLUIRWJNPGJBRM-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$SPLASH: splash10-006x-9000000000-c5282e0a0c9b70f259bc
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  27 14.87 149
  28 2.93 29
  29 10.6 106
  39 7.9 79
  40 1.37 14
  41 24.88 249
  42 9.11 91
  43 99.99 999
  44 4.55 46
  45 8.4 84
  55 9.55 96
  56 8 80
  57 8.23 82
  69 5.28 53
  71 74.48 745
  72 3.69 37
  84 16 160
  85 28.7 287
  86 2.45 25
  88 1.26 13
  89 11.65 117
  101 1.39 14
  115 12.22 122
//
