ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005235
RECORD_TITLE: 5,6-DIHYDRO-6-HYDROXYMETHYL-3-METHYL-6-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$NAME: 5,6-DIHYDRO-6-HYDROXYMETHYL-3-METHYL-6-NONYL-2H-PYRAN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₂₈O₃
CH$EXACT_MASS: 268.20384
CH$SMILES: CCCCCCCCCC(CO)(C1)OC(=O)C(C)=C1
CH$IUPAC: InChI=1S/C16H28O3/c1-3-4-5-6-7-8-9-11-16(13-17)12-10-14(2)15(18)19-16/h10,17H,3-9,11-13H2,1-2H3
CH$LINK: INCHIKEY QSCPZTHCXWAHQG-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$SPLASH: splash10-000i-9000000000-d02a6e50ad395f343347
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  14 1.3 13
  17 5.7 57
  18 23.4 234
  27 0.46 5
  28 29.7 297
  29 12 120
  31 2 20
  32 0.57 6
  39 2.6 26
  40 1 10
  41 16.5 165
  42 0.27 3
  43 24.8 248
  44 3.2 32
  45 1.1 11
  53 0.15 2
  54 1.4 14
  55 13 130
  56 7.1 71
  57 1.32 13
  58 1.2 12
  67 7.1 71
  68 1.5 15
  69 0.51 5
  70 1.1 11
  71 4.6 46
  73 1.1 11
  81 0.33 3
  82 1.3 13
  83 4.5 45
  84 4.8 48
  85 99.99 999
  86 6.1 61
  95 3 30
  97 1.9 19
  98 0.18 2
  101 4.8 48
  109 1.4 14
  111 1.3 13
  115 0.01 0
  151 1.1 11
  155 5.6 56
  156 1.1 11
  194 0.01 0
  195 1.5 15
  211 1.2 12
  226 1.1 11
  253 0.55 6
  254 1.1 11
  266 1.2 12
  267 1.2 12
//