MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005169

PENTYL BENZOATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005169
RECORD_TITLE: PENTYL 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$NAME: PENTYL BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₆O₂
CH$EXACT_MASS: 192.11503
CH$SMILES: CCCCCOC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C12H16O2/c1-2-3-7-10-14-12(13)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3
CH$LINK: INCHIKEY QKNZNUNCDJZTCH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2051849

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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$SPLASH: splash10-00di-3900000000-d07175ff81e07a326beb
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  41 1.09 11
  42 10.65 107
  43 2.4 24
  55 8.63 86
  69 2.51 25
  70 31.57 316
  71 1.85 19
  77 8.73 87
  78 1.09 11
  79 4.25 43
  105 62.22 622
  106 5.62 56
  122 18.28 183
  123 99.99 999
  124 7.64 76
  135 1.42 14
  192 6.06 61
  193 0.98 10
//