ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009108
RECORD_TITLE: ACETALDEHYDE TRANS-2-HEXENYL PENTYL 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$NAME: ACETALDEHYDE TRANS-2-HEXENYL PENTYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₆O₂
CH$EXACT_MASS: 214.19328
CH$SMILES: CCCC=CCOC(C)OCCCCC
CH$IUPAC: InChI=1S/C13H26O2/c1-4-6-8-10-12-15-13(3)14-11-9-7-5-2/h8,10,13H,4-7,9,11-12H2,1-3H3/b10-8+
CH$LINK: INCHIKEY ZCEQBTCRZDAWBC-CSKARUKUSA-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$SPLASH: splash10-059x-9000000000-b5dff7af8e3de9a6c84c
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  15 1.25 13
  27 15.45 155
  28 1.5 15
  29 20.68 207
  31 1.92 19
  39 12.56 126
  41 44.25 443
  42 10.72 107
  43 61.91 619
  44 2.71 27
  45 34.9 349
  53 3.76 38
  54 13.38 134
  55 50.71 507
  56 6.41 64
  57 14.55 146
  58 1.72 17
  61 3.11 31
  67 7.9 79
  69 3.41 34
  70 2.9 29
  71 92.33 923
  72 5.47 55
  81 1.44 14
  82 8.06 81
  83 99.99 999
  84 8.69 87
  85 1.31 13
  97 2.5 25
  99 1.74 17
  100 1.13 11
  115 24.22 242
  116 1.52 15
  126 3.28 33
  127 7.25 73
//