MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007072

ISOPENTYL ACETATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007072
RECORD_TITLE: ISOPENTYL ACETATE; 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

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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$LINK: CAS 123-92-2
CH$LINK: INCHIKEY MLFHJEHSLIIPHL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9025453

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0006-9000000000-fe72c0ec89d09374d63a
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  15 5.74 57
  27 9.17 92
  28 1.63 16
  29 6.96 70
  39 7.2 72
  40 1.02 10
  41 14.76 148
  42 12.37 124
  43 99.99 999
  44 2.89 29
  45 1.68 17
  53 1.08 11
  55 36.48 365
  56 2.37 24
  57 2.49 25
  58 1.94 19
  61 11.25 113
  69 4.74 47
  70 48.15 482
  71 3.58 36
  73 8.56 86
  87 8.8 88
  88 1.25 13
//