ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004375
RECORD_TITLE: 2-METHYL-3-OXO-5-(TETRAHYDROPYRAN-2-YLOXYMETHYL)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$NAME: 2-METHYL-3-OXO-5-(TETRAHYDROPYRAN-2-YLOXYMETHYL)TETRADECAN-5-OLIDE
CH$NAME: 3-METHYL-6-NONYL-6-(PERHYDROPYRAN-2-YLOXYMETHYL)PERHYDROPYRAN-2,4-DIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C21H36O5
CH$EXACT_MASS: 368.25627
CH$SMILES: CCCCCCCCCC(COC(C2)OCCC2)(C1)OC(=O)C(C)C(=O)1
CH$IUPAC: InChI=1S/C21H36O5/c1-3-4-5-6-7-8-10-13-21(15-18(22)17(2)20(23)26-21)16-25-19-12-9-11-14-24-19/h17,19H,3-16H2,1-2H3
CH$LINK: INCHIKEY TTYBVVTXBFJSTC-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$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-002u-9000000000-be1a01eefdcd23e3462c
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  28 43.62 436
  29 17.96 180
  31 3.74 37
  32 8.12 81
  39 4.13 41
  41 24.13 241
  42 4.41 44
  43 38.62 386
  44 4.8 48
  45 1.82 18
  53 2.46 25
  54 2.09 21
  55 19.56 196
  56 10.79 108
  57 18.75 188
  58 1.94 19
  67 8.7 87
  68 2.69 27
  69 9.27 93
  70 2.19 22
  71 8.96 90
  73 1.61 16
  81 6.19 62
  82 0.27 3
  83 7.31 73
  84 5.43 54
  85 99.99 999
  86 6.27 63
  87 1.86 19
  95 5.93 59
  96 1.53 15
  97 3.33 33
  98 2.91 29
  101 5.88 59
  109 2.45 25
  111 2.37 24
  114 1.62 16
  151 2.45 25
  152 1.67 17
  155 1.28 13
  156 2.01 20
  195 1.53 15
  211 4.09 41
  235 1.77 18
  253 13.53 135
  254 2.71 27
  367 0.19 2
//
