MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000246
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000246
RECORD_TITLE: BETA-PINENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: BETA-PINENE
CH$NAME: 2-METHYLENE-6,6-DIMETHYLBICYCLO(3,1,1)HEPTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H16
CH$EXACT_MASS: 136.12520
CH$SMILES: C=C(C2)C(C1)C(C)(C)C(C2)1
CH$IUPAC: InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3
CH$LINK: INCHIKEY
WTARULDDTDQWMU-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7027049
AC$INSTRUMENT: HITACHI RMU-6M
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-f8107bfb161eca785a4e
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
26 1 10
27 22.6 226
28 2.3 23
29 0.9 9
38 1.3 13
39 29.7 297
40 4.9 49
41 6.61 66
42 3 30
43 6.7 67
50 2.3 23
51 0.74 7
52 3.7 37
53 14.5 145
54 1.7 17
55 0.81 8
63 2.2 22
65 7.4 74
66 2.3 23
67 1.26 13
68 3.5 35
69 41.2 412
70 2.3 23
77 2.33 23
78 4.2 42
79 25.3 253
80 12.2 122
81 0.32 3
82 1.5 15
91 22.6 226
92 10.3 103
93 99.99 999
94 13.8 138
95 2.7 27
105 3 30
106 0.16 2
107 4.8 48
108 1.7 17
121 10.3 103
122 0.11 1
136 13.5 135
137 1.4 14
//