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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005313

OCTANOIC ACID PENTYL ESTER; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005313
RECORD_TITLE: OCTANOIC ACID PENTYL ESTER; 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

CH$NAME: OCTANOIC ACID PENTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H26O2
CH$EXACT_MASS: 214.19328
CH$SMILES: CCCCCCCC(=O)OCCCCC
CH$IUPAC: InChI=1S/C13H26O2/c1-3-5-7-8-9-11-13(14)15-12-10-6-4-2/h3-12H2,1-2H3
CH$LINK: INCHIKEY GJWGZSBNFSBUPX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5060932

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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-05bg-9300000000-3a1c4bd12668cd0b03e5
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  27 11.97 120
  28 3.9 39
  29 23.13 231
  31 1.21 12
  39 6.32 63
  40 1.48 15
  41 31.61 316
  42 21.38 214
  43 57.23 572
  44 1.75 18
  45 1.74 17
  53 1.74 17
  54 1.34 13
  55 25.15 252
  56 3.63 36
  57 38.87 389
  58 1.48 15
  59 1.48 15
  60 16.81 168
  61 14.21 142
  67 2.28 23
  68 1.61 16
  69 7.53 75
  70 99.99 999
  71 16 160
  72 1 10
  73 13.31 133
  74 1.61 16
  82 1.48 15
  83 3.36 34
  84 3.09 31
  85 2.01 20
  87 4.43 44
  89 3.36 34
  97 1.74 17
  98 2.42 24
  101 6.72 67
  102 2.82 28
  103 1.61 16
  109 1.61 16
  115 4.98 50
  125 1.34 13
  127 36.32 363
  128 3.36 34
  130 7.93 79
  131 1.21 12
  143 1.88 19
  144 6.59 66
  145 65.7 657
  146 5.92 59
  214 2.15 22
//

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