MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007026
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007026
RECORD_TITLE: ISOPHYTOL; 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$NAME: ISOPHYTOL
CH$NAME: 3,7,11,15-TETRAMETHYL-1-HEXADECEN-3-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H40O
CH$EXACT_MASS: 296.30792
CH$SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)(O)C=C
CH$IUPAC: InChI=1S/C20H40O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,17-19,21H,1,8-16H2,2-6H3
CH$LINK: INCHIKEY
KEVYVLWNCKMXJX-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2025474
AC$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: splash10-00di-9000000000-727a667560f41279ecd4
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
27 1.79 18
29 3.61 36
39 1.04 10
41 10.51 105
42 2.07 21
43 19.58 196
53 1.05 11
55 11.11 111
56 3.76 38
57 11.61 116
58 3.34 33
59 1.5 15
67 1.76 18
68 1.73 17
69 6.73 67
70 3.15 32
71 99.99 999
72 5.83 58
80 1.01 10
81 5.75 58
82 7.73 77
83 4.46 45
85 2.31 23
95 3.83 38
96 1.99 20
97 2.72 27
109 1.57 16
111 1.38 14
123 4.21 42
124 1.32 13
//