MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008360
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
//