ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002545
RECORD_TITLE: N-PROPYL BUTYRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: N-PROPYL BUTYRATE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0076-9000000000-e720d1b1a41e521965bf
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  15 2.79 28
  26 1.85 19
  27 27.21 272
  28 3.74 37
  29 5.47 55
  31 6.43 64
  39 10.26 103
  40 1.85 19
  41 27.88 279
  42 18.5 185
  43 88.46 885
  44 2.99 30
  45 1.46 15
  55 2.22 22
  57 1.48 15
  59 6.28 63
  60 14.59 146
  61 10.18 102
  71 99.99 999
  72 4.88 49
  73 9.24 92
  87 1.18 12
  88 4.94 49
  89 65.77 658
  90 3.13 31
  100 1.16 12
  101 5.96 60
  102 4.96 50
  130 0.32 3
//