MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006928
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006928
RECORD_TITLE: MYRCENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: MYRCENOL
CH$NAME: 2-METHYL-6-METHYLENE-7-OCTEN-2-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H18O
CH$EXACT_MASS: 154.13577
CH$SMILES: C=CC(=C)CCCC(C)(C)O
CH$IUPAC: InChI=1S/C10H18O/c1-5-9(2)7-6-8-10(3,4)11/h5,11H,1-2,6-8H2,3-4H3
CH$LINK: INCHIKEY
DUNCVNHORHNONW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5027192
AC$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: splash10-0536-9000000000-a3e3c12bf43c30f0cae0
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
15 1.8 18
27 13.7 137
28 1.8 18
29 6.53 65
31 11.32 113
39 17.51 175
40 3.93 39
41 30.86 309
42 2.14 21
43 44.09 441
44 1.11 11
45 2.17 22
50 1.37 14
51 4.52 45
52 3.87 39
53 13.39 134
54 2.08 21
55 9.32 93
56 2.38 24
57 2.89 29
58 4.36 44
59 99.99 999
60 2.85 29
65 4.38 44
66 3.72 37
67 14.41 144
68 33.33 333
69 15.4 154
70 1.67 17
71 8.77 88
77 4.76 48
78 1.61 16
79 32.5 325
80 32.6 326
81 37.59 376
82 4.36 44
83 2.1 21
91 1.89 19
92 4.41 44
93 34.47 345
94 5.23 52
95 5.09 51
107 5.22 52
108 1.31 13
121 15.01 150
122 1.32 13
136 11.56 116
137 1.18 12
139 3.68 37
//