ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006435
RECORD_TITLE: AMYL OCTANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: AMYL OCTANOATE
CH$NAME: PENTYL OCTANOATE
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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-05bf-9200000000-6ccbfca2b3d37be0078c
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  27 16.21 162
  29 28.37 284
  31 1.02 10
  39 9.27 93
  41 43.66 437
  42 26.47 265
  43 65.89 659
  44 1.88 19
  45 1.52 15
  53 2.08 21
  54 1.38 14
  55 35.57 356
  56 5.13 51
  57 44.96 450
  58 1.93 19
  59 1.24 12
  60 18.81 188
  61 14.45 145
  67 2.3 23
  68 1.12 11
  69 8.69 87
  70 99.99 999
  71 17.79 178
  73 16.6 166
  74 1.53 15
  82 1.38 14
  83 4.99 50
  84 3.72 37
  85 2.05 21
  87 5.61 56
  89 3.95 40
  97 2.06 21
  98 2.06 21
  101 8.08 81
  102 2.01 20
  103 1.63 16
  109 1.35 14
  115 5.24 52
  127 41.98 420
  128 3.84 38
  130 4.27 43
  143 1.35 14
  144 5.08 51
  145 62.52 625
  146 5.62 56
//