MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005174

ISOPENTYL ACETATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005174
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

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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

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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 20 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-00dl-9000000000-6eb9d62df8623ee92ac6
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  28 1.82 18
  29 2.3 23
  41 4.43 44
  42 14.97 150
  43 89.84 898
  44 2.35 24
  45 2.2 22
  55 46.14 461
  56 4.17 42
  57 4.01 40
  58 2.95 30
  61 15.08 151
  69 7.32 73
  70 99.99 999
  71 6.47 65
  72 3.42 34
  73 17.22 172
  74 3.37 34
  85 2.24 22
  87 13.37 134
  88 2.46 25
  115 1.07 11
  130 0.91 9
//