ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006509
RECORD_TITLE: HEXYL PENTANOATE; 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$NAME: HEXYL PENTANOATE
CH$NAME: HEXYL VALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₂O₂
CH$EXACT_MASS: 186.16198
CH$SMILES: CCCCCCOC(=O)CCCC
CH$IUPAC: InChI=1S/C11H22O2/c1-3-5-7-8-10-13-11(12)9-6-4-2/h3-10H2,1-2H3
CH$LINK: INCHIKEY YERFHJZYNMRVLO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3061502

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$SPLASH: splash10-0a4u-9100000000-d5318a5a2bfb57ed8168
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  26 1.73 17
  27 32.1 321
  29 56.72 567
  30 1.34 13
  31 2.19 22
  39 17.43 174
  41 70.74 707
  42 29.82 298
  43 82.33 823
  44 1.77 18
  45 2.56 26
  53 2.78 28
  54 2.93 29
  55 41.28 413
  56 74.25 743
  57 76.45 765
  58 3.11 31
  59 1.66 17
  60 16 160
  61 18.42 184
  67 1.66 17
  69 23.17 232
  70 1.13 11
  73 13.32 133
  74 1.02 10
  75 3.04 30
  83 3.83 38
  84 62.63 626
  85 99.99 999
  86 4.34 43
  87 1.92 19
  101 1.75 18
  102 4.16 42
  103 87.28 873
  104 3.51 35
  115 1.61 16
  129 1.72 17
//