MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007118
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007118
RECORD_TITLE: BETA-PINENE; 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$NAME: BETA-PINENE
CH$NAME: 6,6-DIMETHYL-2-METHYLENEBICYCLO(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: CAS
18172-67-3
CH$LINK: COMPTOX
DTXSID7027049
CH$LINK: INCHIKEY
WTARULDDTDQWMU-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:14896
AC$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-a27a5e806c4c8566e6a9
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
27 13.98 140
29 6 60
39 21.58 216
40 3.77 38
41 45.36 454
42 2.02 20
43 4.32 43
50 1.44 14
51 5.6 56
52 3.06 31
53 11.23 112
54 1.28 13
55 6.57 66
63 1.51 15
65 5.79 58
66 1.97 20
67 9.96 100
68 2.8 28
69 35.75 358
70 1.51 15
77 20.24 202
78 4.11 41
79 21.9 219
80 10.66 107
81 3.04 30
82 1.19 12
91 17.74 177
92 9.44 94
93 99.99 999
94 13.25 133
95 2.51 25
105 2.6 26
107 4.46 45
108 1.27 13
121 10.84 108
136 9.35 94
//