ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004373
RECORD_TITLE: 2-METHYL-3-OXO-5-HYDROXYMETHYL TETRADECAN-5-OLIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAGIWARA H, CHEM. RES. INST. OF NON-AQUEOUS SOLUTIONS, TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 2-METHYL-3-OXO-5-HYDROXYMETHYL TETRADECAN-5-OLIDE
CH$NAME: 6-HYDROXYMETHYL-3-METHYL-6-NONYLPERHYDROPYRANE-2,4-DIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H28O4
CH$EXACT_MASS: 284.19876
CH$SMILES: CCCCCCCCCC(CO)(C1)OC(=O)C(C)C(=O)1
CH$IUPAC: InChI=1S/C16H28O4/c1-3-4-5-6-7-8-9-10-16(12-17)11-14(18)13(2)15(19)20-16/h13,17H,3-12H2,1-2H3
CH$LINK: INCHIKEY JUMPMZRCHSGMTA-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-DX-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0zfr-9560000000-a8a81ff96b31345eb03b
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  28 7.57 76
  43 19.42 194
  55 8.85 89
  56 13.05 131
  57 25.25 253
  67 8 80
  69 11.39 114
  71 30.47 305
  81 15.45 155
  82 6.18 62
  83 7.53 75
  85 14.31 143
  95 17.19 172
  97 6.29 63
  98 6.49 65
  101 7.02 70
  109 7.24 72
  110 5.19 52
  126 5.15 52
  151 7.57 76
  154 5.18 52
  155 71.61 716
  156 7.37 74
  211 15.91 159
  235 10.21 102
  253 99.99 999
  254 16.63 166
//
