ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010137
RECORD_TITLE: DIMETHYLACRYLIC ACID SOBREOL ESTER; 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$NAME: DIMETHYLACRYLIC ACID SOBREOL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₄O₃
CH$EXACT_MASS: 252.17254
CH$SMILES: CC(C)=CC(=O)OC(C(C)=1)CC(CC1)C(C)(C)O
CH$IUPAC: InChI=1S/C15H24O3/c1-10(2)8-14(16)18-13-9-12(15(4,5)17)7-6-11(13)3/h6,8,12-13,17H,7,9H2,1-5H3
CH$LINK: INCHIKEY PYDAVHFDKJZDEH-UHFFFAOYSA-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$SPLASH: splash10-054n-9200000000-b8bf5f7e3bcdf235457e
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
  27 9 90
  29 17 170
  31 13 130
  39 1.3 13
  40 2 20
  41 22 220
  44 0.4 4
  45 8 80
  48 91 910
  53 8 80
  54 4 40
  55 6.2 62
  56 4 40
  57 4 40
  59 99.99 999
  60 0.2 2
  65 3 30
  67 6 60
  69 9 90
  71 0.3 3
  77 13 130
  78 3 30
  79 53 530
  80 0.6 6
  81 8 80
  82 6 60
  83 57 570
  84 0.4 4
  85 3 30
  91 14 140
  92 6 60
  93 7.2 72
  94 49 490
  95 25 250
  96 4 40
  97 0.4 4
  105 2 20
  107 9 90
  108 8 80
  109 4.3 43
  110 6 60
  111 2 20
  119 4 40
  120 0.4 4
  123 2 20
  134 11 110
  135 23 230
  136 0.2 2
  137 15 150
  152 49 490
  153 6 60
  170 0.9 9
  191 6 60
  234 2 20
//