ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009269
RECORD_TITLE: BUTANAL BUTYL ISOPROPYL ACETAL; 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$NAME: BUTANAL BUTYL ISOPROPYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₄O₂
CH$EXACT_MASS: 188.17763
CH$SMILES: CCCCOC(CCC)OC(C)C
CH$IUPAC: InChI=1S/C11H24O2/c1-5-7-9-12-11(8-6-2)13-10(3)4/h10-11H,5-9H2,1-4H3
CH$LINK: INCHIKEY CNHSQHGCGGFGSB-UHFFFAOYSA-N

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$SPLASH: splash10-0abc-9200000000-3e7203fdd3b998039557
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  15 1.2 12
  18 2.4 24
  27 19.5 195
  28 0.24 2
  29 23.9 239
  31 5.4 54
  39 6.2 62
  40 0.12 1
  41 34.5 345
  42 4 40
  43 44.4 444
  44 0.43 4
  45 4.9 49
  47 3.1 31
  55 42.2 422
  56 0.51 5
  57 99.99 999
  58 3.8 38
  59 1.3 13
  71 0.3 3
  72 3.3 33
  73 84.3 843
  74 3.4 34
  89 0.35 4
  103 33.9 339
  104 1.5 15
  115 29.9 299
  116 0.2 2
  129 10.7 107
  145 14.8 148
  146 1.5 15
//