ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001527
RECORD_TITLE: ISOPENTYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ISOPENTYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄O₂
CH$EXACT_MASS: 130.09938
CH$SMILES: CC(C)CCOC(C)=O
CH$IUPAC: InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3
CH$LINK: COMPTOX DTXSID9025453
CH$LINK: INCHIKEY MLFHJEHSLIIPHL-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:31276

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-006x-9000000000-8c50c23b8716d739a931
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  15 6.35 64
  27 8.24 82
  28 2.21 22
  29 7.84 78
  31 1.41 14
  39 6.31 63
  40 1.01 10
  41 14.07 141
  42 13.71 137
  43 99.99 999
  44 2.89 29
  45 2.21 22
  53 1.29 13
  55 38.55 386
  56 3.22 32
  57 3.82 38
  58 1.81 18
  61 10.85 109
  69 5.59 56
  70 61.91 619
  71 4.74 47
  72 2.01 20
  73 10.69 107
  85 1.21 12
  87 8.04 80
  88 1.41 14
  130 0.68 7
//