MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005162

ISOPENTYL BENZOATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005162
RECORD_TITLE: ISOPENTYL BENZOATE; 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$NAME: ISOPENTYL BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₆O₂
CH$EXACT_MASS: 192.11503
CH$SMILES: CC(C)CCOC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C12H16O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
CH$LINK: INCHIKEY MLLAPOCBLWUFAP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8047185

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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$SPLASH: splash10-00di-9500000000-4cc153d7dd8ad8fd9da2
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  42 5.21 52
  43 2.48 25
  55 13.14 131
  69 2.28 23
  70 99.99 999
  71 5.69 57
  77 5.64 56
  79 1.75 18
  105 41.43 414
  106 3.6 36
  122 5.3 53
  123 24.39 244
  124 1.95 20
  149 0.92 9
  192 0.34 3
//