ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009931
RECORD_TITLE: BENZYL 6-ACETOXY-4-METHYL-4-HEXENOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: BENZYL 6-ACETOXY-4-METHYL-4-HEXENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₂₀O₄
CH$EXACT_MASS: 276.13616
CH$SMILES: CC(=O)OCC=C(C)CCC(=O)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C16H20O4/c1-13(10-11-19-14(2)17)8-9-16(18)20-12-15-6-4-3-5-7-15/h3-7,10H,8-9,11-12H2,1-2H3/b13-10+
CH$LINK: INCHIKEY GBALUYBVKIVYMM-JLHYYAGUSA-N

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-0006-9400000000-a149a6a1281e403ba7b1
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  39 1.6 16
  41 3.1 31
  43 18.4 184
  51 0.03 0
  53 1.1 11
  55 0.8 8
  63 0.2 2
  65 0.45 5
  67 1.9 19
  68 4.7 47
  69 2.2 22
  71 0.02 0
  77 1.9 19
  79 2.8 28
  80 0.2 2
  81 0.83 8
  82 1.9 19
  83 1.6 16
  84 1.7 17
  89 0.03 0
  90 1.1 11
  91 99.99 999
  92 9.5 95
  97 0.23 2
  98 0.3 3
  104 0.6 6
  105 1.9 19
  107 0.16 2
  108 2 20
  109 0.2 2
  110 6.7 67
  111 0.05 1
  125 43.3 433
  126 4.7 47
  143 11.3 113
  144 0.03 0
  156 6.3 63
  157 1.4 14
  185 0.6 6
  216 0.45 5
  217 0.3 3
//