ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009890
RECORD_TITLE: 10-OXODECANYL ACETATE; 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$NAME: 10-OXODECANYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H22O3
CH$EXACT_MASS: 214.15689
CH$SMILES: O=CCCCCCCCCCOC(C)=O
CH$IUPAC: InChI=1S/C12H22O3/c1-12(14)15-11-9-7-5-3-2-4-6-8-10-13/h10H,2-9,11H2,1H3
CH$LINK: INCHIKEY JAPNOISVXDOAHT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70455427
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$SPLASH: splash10-014l-9100000000-c0df55f9105dbd06a515
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  27 4.8 48
  28 19.7 197
  29 11 110
  32 12.3 123
  39 4.8 48
  41 30 300
  42 10 100
  43 99.99 999
  44 9 90
  45 2.1 21
  54 13.2 132
  55 51 510
  56 22 220
  57 16.7 167
  58 4.8 48
  61 32.3 323
  67 21 210
  68 22.3 223
  69 64 640
  70 22.7 227
  71 9 90
  73 4.8 48
  79 6.8 68
  80 5.8 58
  81 17 170
  82 16.6 166
  83 19.3 193
  84 12.8 128
  85 3 30
  94 7 70
  95 5.3 53
  96 10 100
  97 4.2 42
  98 19 190
  112 4.8 48
  113 3 30
  114 1.6 16
  115 5.5 55
  116 42.9 429
  117 6 60
  121 2.8 28
  126 5.2 52
  135 1.3 13
  171 4 40
//
