ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002550
RECORD_TITLE: ISOAMYL 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$NAME: ISOAMYL BUTYRATE
CH$NAME: ISOPENTYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₈O₂
CH$EXACT_MASS: 158.13068
CH$SMILES: CCCC(=O)OCCC(C)C
CH$IUPAC: InChI=1S/C9H18O2/c1-4-5-9(10)11-7-6-8(2)3/h8H,4-7H2,1-3H3
CH$LINK: INCHIKEY PQLMXFQTAMDXIZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3042059

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$SPLASH: splash10-00dl-9000000000-be743bf025ce1c0dc836
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  15 1.83 18
  26 1.01 10
  27 17.59 176
  28 3.82 38
  29 9.69 97
  31 1.18 12
  39 8.51 85
  40 1.58 16
  41 24 240
  42 14.22 142
  43 77.46 775
  44 2.73 27
  45 2.19 22
  53 1.32 13
  55 33.09 331
  56 2.09 21
  57 1.92 19
  60 3.21 32
  69 5.27 53
  70 99.99 999
  71 81.11 811
  72 3.91 39
  73 2.06 21
  85 1.72 17
  88 2.66 27
  89 16.24 162
  101 3.44 34
  115 5 50
//