ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009262
RECORD_TITLE: ISOVALERALDEHYDE ISOBUTYL PROPYL 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$NAME: ISOVALERALDEHYDE ISOBUTYL PROPYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₆O₂
CH$EXACT_MASS: 202.19328
CH$SMILES: CCCOC(OCC(C)C)CC(C)C
CH$IUPAC: InChI=1S/C12H26O2/c1-6-7-13-12(8-10(2)3)14-9-11(4)5/h10-12H,6-9H2,1-5H3
CH$LINK: INCHIKEY IRROWXSGAWXJDE-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$SPLASH: splash10-052f-9000000000-37f23b798bf79b78b1a5
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  27 15.3 153
  28 1.2 12
  29 22.4 224
  31 0.46 5
  39 8.1 81
  40 1.2 12
  41 40 400
  42 0.47 5
  43 75.3 753
  44 4.8 48
  45 12.4 124
  47 0.56 6
  55 4.1 41
  56 4 40
  57 99.99 999
  58 0.5 5
  60 1.1 11
  69 34.7 347
  70 1.7 17
  71 0.56 6
  85 2.2 22
  87 25.5 255
  88 1.3 13
  89 3.28 33
  90 1.3 13
  103 1.1 11
  113 1 10
  129 3.34 33
  130 2.3 23
  143 10 100
  145 15.5 155
  146 1.1 11
//