ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006990
RECORD_TITLE: PENTYL HEXANOATE; 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$NAME: PENTYL HEXANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₂O₂
CH$EXACT_MASS: 186.16198
CH$SMILES: CCCCCC(=O)OCCCCC
CH$IUPAC: InChI=1S/C11H22O2/c1-3-5-7-9-11(12)13-10-8-6-4-2/h3-10H2,1-2H3
CH$LINK: INCHIKEY WRFZKAGPPQGDDQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0047581

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$SPLASH: splash10-006x-9100000000-b7ff3c25d7676b000ff7
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  26 1.25 13
  27 24.52 245
  29 33.64 336
  31 1.69 17
  39 13.86 139
  41 47.87 479
  42 34.77 348
  43 99.99 999
  44 3.15 32
  45 2.33 23
  53 2.14 21
  54 1.28 13
  55 34.29 343
  56 6.26 63
  57 4.52 45
  60 19.07 191
  61 12.8 128
  69 11.58 116
  70 98.25 983
  71 39.9 399
  72 1.76 18
  73 15.71 157
  74 1.75 18
  75 1.61 16
  83 1.05 11
  85 1.94 19
  87 9.14 91
  89 3.36 34
  97 1.18 12
  99 70.71 707
  100 5.05 51
  101 1.07 11
  102 1.29 13
  103 1.27 13
  115 2.38 24
  116 3.44 34
  117 75.64 756
  118 4.86 49
  130 2.72 27
//