ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006499
RECORD_TITLE: PENTYL 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$NAME: PENTYL BUTYRATE
CH$NAME: AMYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₈O₂
CH$EXACT_MASS: 158.13068
CH$SMILES: CCCCCOC(=O)CCC
CH$IUPAC: InChI=1S/C9H18O2/c1-3-5-6-8-11-9(10)7-4-2/h3-8H2,1-2H3
CH$LINK: INCHIKEY CFNJLPHOBMVMNS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4041604

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$SPLASH: splash10-006x-9000000000-937c8363d4b8c7c59575
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  15 1.54 15
  26 1.5 15
  27 29.36 294
  28 6.04 60
  29 22.28 223
  31 1.72 17
  39 14.6 146
  40 2.62 26
  41 39.64 396
  42 35.06 351
  43 98.29 983
  44 3.16 32
  45 2.07 21
  53 1.2 12
  55 23.41 234
  56 1.9 19
  57 1.67 17
  60 8.6 86
  61 2.33 23
  69 7.34 73
  70 58.34 583
  71 99.99 999
  72 3.98 40
  73 5.38 54
  85 1.1 11
  86 1.35 14
  88 5.26 53
  89 60.5 605
  90 2.27 23
  101 3.01 30
  115 1.36 14
//