MassBank Record: JP008493

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OCTYL BENZOATE; EI-B; MS

Mass Spectrum
Chemical Structure
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ACCESSION: JP008493
RECORD_TITLE: OCTYL BENZOATE; 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

CH$NAME: OCTYL BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H22O2
CH$EXACT_MASS: 234.16198
CH$SMILES: CCCCCCCCOC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C15H22O2/c1-2-3-4-5-6-10-13-17-15(16)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3
CH$LINK: INCHIKEY VECVSKFWRQYTAL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1059103

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

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-05fr-9700000000-bf993012ad3dc9dfdb74
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  27 9.66 97
  29 12.16 122
  39 5.5 55
  41 26.79 268
  42 10.51 105
  43 17.2 172
  50 2.91 29
  51 15.15 152
  52 1.11 11
  53 1.72 17
  54 2.41 24
  55 18.06 181
  56 18.53 185
  57 6.8 68
  67 1.67 17
  68 3.27 33
  69 12.66 127
  70 20.95 210
  71 2.27 23
  76 2.65 27
  77 53.61 536
  78 3.95 40
  79 7.88 79
  82 2.65 27
  83 12.62 126
  84 11.4 114
  97 1.21 12
  105 97.86 979
  106 8.12 81
  112 12.3 123
  122 13.85 139
  123 99.99 999
  124 7.6 76
//