ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009029
RECORD_TITLE: BUTYL 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$NAME: BUTYL ACETOACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₄O₃
CH$EXACT_MASS: 158.09429
CH$SMILES: CCCCOC(=O)CC(C)=O
CH$IUPAC: InChI=1S/C8H14O3/c1-3-4-5-11-8(10)6-7(2)9/h3-6H2,1-2H3
CH$LINK: CAS 591-60-6
CH$LINK: INCHIKEY REIYHFWZISXFKU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3060453

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$SPLASH: splash10-0006-9000000000-5e338755179443d54e95
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  15 4.25 43
  26 2.01 20
  27 14.5 145
  29 18.92 189
  31 4.58 46
  32 2.39 24
  39 6.84 68
  41 24.21 242
  42 15.27 153
  43 99.99 999
  44 1.99 20
  55 3.3 33
  56 34.67 347
  57 19.42 194
  58 4.19 42
  60 12.82 128
  61 3.68 37
  69 2.63 26
  73 1.59 16
  84 4.63 46
  85 26.27 263
  86 1.04 10
  87 1.91 19
  102 3.24 32
  103 18.26 183
//