ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006503
RECORD_TITLE: HEXYL BUTYRATE; 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$NAME: HEXYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₀O₂
CH$EXACT_MASS: 172.14633
CH$SMILES: CCCCCCOC(=O)CCC
CH$IUPAC: InChI=1S/C10H20O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3-9H2,1-2H3
CH$LINK: INCHIKEY XAPCMTMQBXLDBB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8047559

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$SPLASH: splash10-0006-9000000000-c8872258839b61d390df
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  26 1.04 10
  27 27 270
  28 6.57 66
  29 19.46 195
  31 1.35 14
  39 12.6 126
  40 2.32 23
  41 40.3 403
  42 25.7 257
  43 99.99 999
  44 3.68 37
  45 1.6 16
  53 1.5 15
  54 1.93 19
  55 22.88 229
  56 43.16 432
  57 5.83 58
  60 7.54 75
  61 3.98 40
  69 14.66 147
  70 1.8 18
  71 77.62 776
  72 2.99 30
  73 3.47 35
  83 2.93 29
  84 33.46 335
  85 4.28 43
  86 1.11 11
  88 4.54 45
  89 54.23 542
  90 2.03 20
  99 1.23 12
  101 2.32 23
  129 1.06 11
//