ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007087
RECORD_TITLE: ISOPROPYL 2-METHYLBUTYRATE; 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$NAME: ISOPROPYL 2-METHYLBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₆O₂
CH$EXACT_MASS: 144.11503
CH$SMILES: CCC(C)C(=O)OC(C)C
CH$IUPAC: InChI=1S/C8H16O2/c1-5-7(4)8(9)10-6(2)3/h6-7H,5H2,1-4H3
CH$LINK: INCHIKEY DIRDKDDFAMNBNY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3047550

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$SPLASH: splash10-052f-9100000000-7ab9569d04b425087b93
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  15 1.07 11
  17 1.79 18
  18 9.47 95
  26 1.3 13
  27 14.63 146
  29 13.89 139
  39 11.69 117
  41 36.23 362
  42 5.34 53
  43 99.99 999
  44 2.28 23
  45 3.45 35
  53 1.06 11
  55 3.67 37
  56 10.95 110
  57 79.41 794
  58 2.98 30
  59 10.32 103
  73 1.99 20
  74 17.44 174
  85 48.89 489
  86 2.46 25
  87 6.15 62
  102 5.92 59
  103 23.78 238
  104 1.23 12
  116 14.15 142
  129 2.93 29
//