ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008360
RECORD_TITLE: NEROL OXIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: NEROL OXIDE
CH$NAME: 4-METHYL-2-(2-METHYL-1-PROPENYL)-2,3-DIHYDROPYRAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₆O
CH$EXACT_MASS: 152.12012
CH$SMILES: CC(C)=CC(O1)CC(C)=CC1
CH$IUPAC: InChI=1S/C10H16O/c1-8(2)6-10-7-9(3)4-5-11-10/h4,6,10H,5,7H2,1-3H3
CH$LINK: INCHIKEY FRISMOQHTLZZRP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6051805

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-014i-9000000000-c7728956a05defa6ddc5
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  15 1.06 11
  27 14.02 140
  29 9.83 98
  39 21.87 219
  40 7.67 77
  41 29.51 295
  42 4.27 43
  43 5 50
  50 1.11 11
  51 3.12 31
  52 1.63 16
  53 20.43 204
  54 1.93 19
  55 14.53 145
  56 3.35 34
  57 1.09 11
  65 2.83 28
  66 2.84 28
  67 52.53 525
  68 99.99 999
  69 14.79 148
  77 3.13 31
  79 3.17 32
  81 6.44 64
  82 5.18 52
  83 64.78 648
  84 5.02 50
  85 24.35 244
  91 3.19 32
  93 1.73 17
  94 1.53 15
  95 5.12 51
  96 7.81 78
  97 2.01 20
  109 4.74 47
  152 5.12 51
//