ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010698
RECORD_TITLE: (-)-2,6,6-TRIMETHYL-2(R)-VINYLTETRAHYDROPYRAN-5-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: EGUCHI S, FAC. OF SCIENCE, HIROSHIMA UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: (-)-2,6,6-TRIMETHYL-2(R)-VINYLTETRAHYDROPYRAN-5-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₆O₂
CH$EXACT_MASS: 168.11503
CH$SMILES: C=CC(C)(C1)OC(C)(C)C(=O)C1
CH$IUPAC: InChI=1S/C10H16O2/c1-5-10(4)7-6-8(11)9(2,3)12-10/h5H,1,6-7H2,2-4H3/t10-/m0/s1
CH$LINK: INCHIKEY ATQPZCOAQSYTPR-JTQLQIEISA-N

AC$INSTRUMENT: HITACHI RMU-6L
AC$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$SPLASH: splash10-014i-9200000000-cdfb8c54f2a6bffa2c8f
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  41 26.5 265
  42 9.5 95
  43 34 340
  44 0.15 2
  51 3 30
  52 4 40
  53 14 140
  54 0.8 8
  55 13 130
  56 3 30
  57 2 20
  58 0.15 2
  59 14 140
  65 43 430
  66 4.5 45
  67 8.9 89
  68 99.99 999
  69 11 110
  70 10.5 105
  71 0.3 3
  77 2 20
  79 4 40
  80 2 20
  81 1 10
  82 28 280
  83 4 40
  84 1.5 15
  92 0.25 3
  93 2.5 25
  94 1.5 15
  95 9 90
  96 0.15 2
  97 3.5 35
  107 2 20
  108 1.5 15
  109 0.2 2
  110 76 760
  111 9 90
  112 1 10
  123 0.2 2
  124 1 10
  125 2 20
  126 1 10
  135 0.15 2
  141 4 40
  142 1 10
  153 4 40
  154 0.15 2
  168 4 40
  169 1 10
//