ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004374
RECORD_TITLE: 2-METHYL-5-(TETRAHYDR0PYRAN-2-YLOXYMETHYL)-2-TETRADECEN-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$NAME: 2-METHYL-5-(TETRAHYDR0PYRAN-2-YLOXYMETHYL)-2-TETRADECEN-5-OLIDE
CH$NAME: 3-METHYL-6-NONYL-6-(PERHYDROPYRAN-2-YLOXYMETHYL)-5,6-DIHYDRO-2H-PYRAN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C21H36O4
CH$EXACT_MASS: 352.26136
CH$SMILES: CCCCCCCCCC(COC(C2)OCCC2)(C1)OC(=O)C(C)=C1
CH$IUPAC: InChI=1S/C21H36O4/c1-3-4-5-6-7-8-10-14-21(15-13-18(2)20(22)25-21)17-24-19-12-9-11-16-23-19/h13,19H,3-12,14-17H2,1-2H3
CH$LINK: INCHIKEY YIWAEGRIRLSFLS-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:101624396
AC$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: splash10-000i-9120000000-989105040a516c7c6e1a
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  29 21.09 211
  31 2.92 29
  39 5.88 59
  41 31.37 314
  42 4.07 41
  43 39.89 399
  53 5.51 55
  54 8.69 87
  55 22.64 226
  56 5.08 51
  57 27.25 273
  67 14.71 147
  68 2.28 23
  69 7.23 72
  71 12.01 120
  79 2.8 28
  81 8.29 83
  82 16.05 161
  83 6.19 62
  84 4.62 46
  85 99.99 999
  86 6.21 62
  93 3.02 30
  95 11.64 116
  96 2.73 27
  97 3.31 33
  98 2.34 23
  107 0.23 2
  109 4.19 42
  111 4 40
  123 6.58 66
  124 0.61 6
  125 6.53 65
  126 4.21 42
  137 6.92 69
  138 3.55 36
  141 3.22 32
  155 21.67 217
  156 2.73 27
  224 3.59 36
  236 42.72 427
  237 25.95 260
  238 5.08 51
  267 9.41 94
  268 2.18 22
//
