MassBank Record: JP010696

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(-)-2,6,6-TRIMETHYL-2(R)-VINYL-5(R)-HYDROXYTETRAHYDROPYRAN; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: JP010696
RECORD_TITLE: (-)-2,6,6-TRIMETHYL-2(R)-VINYL-5(R)-HYDROXYTETRAHYDROPYRAN; 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$NAME: (-)-2,6,6-TRIMETHYL-2(R)-VINYL-5(R)-HYDROXYTETRAHYDROPYRAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H18O2
CH$EXACT_MASS: 170.130680000000012341843103058636188507080078125
CH$SMILES: C=CC(C)(C1)OC(C)(C)C([H])(O)C1
CH$IUPAC: InChI=1S/C10H18O2/c1-5-10(4)7-6-8(11)9(2,3)12-10/h5,8,11H,1,6-7H2,2-4H3/t8-,10+/m1/s1
CH$LINK: COMPTOX DTXSID60178794
CH$LINK: INCHIKEY BCTBAGTXFYWYMW-SCZZXKLOSA-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$SPLASH: splash10-05mo-9000000000-3a05e06520c8a15bdc8e
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  41 27.5 275
  42 5.5 55
  43 46.5 465
  44 0.5 5
  45 4.5 45
  51 4.5 45
  52 3 30
  53 1.6 16
  54 4.5 45
  55 13.5 135
  56 6 60
  57 0.95 10
  58 2.5 25
  59 79.5 795
  60 5 50
  65 0.35 4
  66 4.5 45
  67 32 320
  68 99.99 999
  69 1.35 14
  70 8 80
  71 10 100
  72 6.5 65
  77 0.45 5
  78 2 20
  79 17.5 175
  80 3 30
  81 1.15 12
  82 2 20
  83 9.5 95
  84 6 60
  85 0.5 5
  92 2 20
  93 4.5 45
  94 71.5 715
  95 0.95 10
  96 2 20
  97 6 60
  99 3 30
  102 0.45 5
  107 2 20
  108 1.5 15
  109 4 40
  111 0.3 3
  112 8.5 85
  119 1.5 15
  125 3.5 35
  135 0.3 3
  137 5 50
  143 3.5 35
  153 4.5 45
  155 0.35 4
  170 1.5 15
//