MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008399
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008399
RECORD_TITLE: BETA-MYRCENE; 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$NAME: BETA-MYRCENE
CH$NAME: 7-METHYL-3-METHYLENE-1,6-OCTADIENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H16
CH$EXACT_MASS: 136.12520
CH$SMILES: C=CC(=C)CCC=C(C)C
CH$IUPAC: InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3
CH$LINK: INCHIKEY
UAHWPYUMFXYFJY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6025692
AC$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: splash10-0006-9000000000-078927c5db5ba8691e12
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
27 18.94 189
28 1.06 11
29 5.39 54
38 1.24 12
39 25.87 259
40 4.9 49
41 97.95 980
42 3.91 39
43 3.11 31
50 1.91 19
51 6.41 64
52 3.26 33
53 15.22 152
54 1.62 16
55 3.3 33
63 1.54 15
65 5.88 59
66 2.26 23
67 10.64 106
68 4.57 46
69 84.59 846
70 4.02 40
77 12.34 123
78 2.01 20
79 13.86 139
80 7.44 74
81 1.63 16
82 1.36 14
91 12.49 125
92 9.11 91
93 99.99 999
94 10.25 103
105 1.52 15
107 2.22 22
121 4.06 41
136 4.23 42
//