ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005234
RECORD_TITLE: 3,4,5,6-TETRAHYDRO-(6ALPHA)-HYDROXYMETHYL-(3ALPHA)-METHYL-(6BETA)-NONYL-2H-PYRAN-2-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 3,4,5,6-TETRAHYDRO-(6ALPHA)-HYDROXYMETHYL-(3ALPHA)-METHYL-(6BETA)-NONYL-2H-PYRAN-2-ONE
CH$NAME: 2-EPI-MALYNGOLIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H30O3
CH$EXACT_MASS: 270.21949
CH$SMILES: CCCCCCCCCC(CO)(C1)OC(=O)C([H])(C)C1
CH$IUPAC: InChI=1S/C16H30O3/c1-3-4-5-6-7-8-9-11-16(13-17)12-10-14(2)15(18)19-16/h14,17H,3-13H2,1-2H3/t14-,16-/m1/s1
CH$LINK: INCHIKEY OEXPVULGTKWKEH-GDBMZVCRSA-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$SPLASH: splash10-052o-9240000000-b6060321174fe6b11aee
PK$NUM_PEAK: 68
PK$PEAK: m/z int. rel.int.
  27 11.4 114
  29 26.2 262
  31 12.6 126
  39 0.74 7
  41 50.2 502
  42 9.4 94
  43 47.3 473
  44 0.15 2
  45 1.4 14
  53 4.5 45
  54 4.3 43
  55 4.13 41
  56 15.7 157
  57 39.5 395
  58 5.6 56
  59 0.19 2
  67 10.9 109
  68 5.5 55
  69 20.4 204
  70 0.48 5
  71 34.2 342
  72 3.4 34
  73 1.3 13
  74 0.13 1
  77 1.1 11
  79 3.6 36
  80 1.3 13
  81 0.14 1
  82 5.4 54
  83 9.7 97
  84 3 30
  85 1.76 18
  86 1.3 13
  93 1.9 19
  95 11.6 116
  96 0.38 4
  97 7.8 78
  98 4.3 43
  99 1.4 14
  107 0.01 0
  109 3.2 32
  110 3.1 31
  111 7.1 71
  112 0.14 1
  113 1.5 15
  115 7.1 71
  123 1.6 16
  124 0.11 1
  125 1.5 15
  126 3.1 31
  127 1 10
  137 0.18 2
  139 2.1 21
  140 1.1 11
  143 27.4 274
  144 0.22 2
  151 1.4 14
  155 26.6 266
  156 3 30
  166 0.13 1
  211 35.1 351
  212 6 60
  223 2.9 29
  226 0.11 1
  239 99.99 999
  240 17.4 174
  241 2 20
  270 0.3 3
//
