ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009030
RECORD_TITLE: ISOPENTYL ACETOACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: ISOPENTYL ACETOACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₆O₃
CH$EXACT_MASS: 172.10994
CH$SMILES: CC(C)CCOC(=O)CC(C)=O
CH$IUPAC: InChI=1S/C9H16O3/c1-7(2)4-5-12-9(11)6-8(3)10/h7H,4-6H2,1-3H3
CH$LINK: INCHIKEY XHRGPLDMNNGHCX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80177648

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$SPLASH: splash10-006x-9000000000-ea4087a7ea2378ba8ee9
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  15 4.25 43
  26 1.62 16
  27 12.62 126
  29 10.77 108
  31 4.57 46
  39 7.94 79
  41 21.42 214
  42 16.99 170
  43 99.99 999
  44 2.87 29
  45 1.57 16
  53 1.46 15
  55 29.77 298
  56 2.74 27
  57 3.62 36
  58 5.35 54
  59 1.09 11
  60 1.6 16
  61 1.28 13
  69 3.73 37
  70 55.44 554
  71 17.9 179
  73 1.2 12
  84 2.63 26
  85 19.52 195
  87 1.59 16
  102 1.43 14
  103 9.04 90
//