ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006494
RECORD_TITLE: PROPYL 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$NAME: PROPYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄O₂
CH$EXACT_MASS: 130.09938
CH$SMILES: CCCOC(=O)CCC
CH$IUPAC: InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3
CH$LINK: INCHIKEY HUAZGNHGCJGYNP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6059318

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$SPLASH: splash10-006x-9000000000-d427ef5d780cc2d54eac
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  15 3.15 32
  26 2.65 27
  27 41.14 411
  28 5.91 59
  29 12.43 124
  30 1.06 11
  31 5.39 54
  38 1.3 13
  39 16.81 168
  40 2.14 21
  41 37 370
  42 24.81 248
  43 99.99 999
  44 3.16 32
  45 1.97 20
  55 2.4 24
  57 1.51 15
  59 6.06 61
  60 14.18 142
  61 8.61 86
  71 92.33 923
  72 3.75 38
  73 9.07 91
  88 3.09 31
  89 47.71 477
  90 1.79 18
  101 3.22 32
  102 2.76 28
//