ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001307
RECORD_TITLE: ACETIC ACID ISOPENTYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: ACETIC ACID ISOPENTYL ESTER
CH$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: INCHIKEY MLFHJEHSLIIPHL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9025453

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0006-9000000000-712ec54497a1b720e6f4
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  15 3.57 36
  27 5.19 52
  28 2.34 23
  29 6.16 62
  39 4.41 44
  41 11.36 114
  42 12.01 120
  43 99.99 999
  44 2.53 25
  45 1.75 18
  55 33.42 334
  56 4.54 45
  57 2.99 30
  58 1.62 16
  61 9.67 97
  69 3.96 40
  70 43.87 439
  71 3.37 34
  72 1.62 16
  73 10.84 108
  74 1.75 18
  85 1 10
  87 6.04 60
  88 1.17 12
//