MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007117
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007117
RECORD_TITLE: ALPHA-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$NAME: ALPHA-PINENE
CH$NAME: 2,6,6-TRIMETHYLBICYCLO(3.1.1)HEPT-2-ENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H16
CH$EXACT_MASS: 136.12520
CH$SMILES: CC(=C2)C(C1)C(C)(C)C(C2)1
CH$IUPAC: InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3
CH$LINK: CAS
80-56-8
CH$LINK: INCHIKEY
GRWFGVWFFZKLTI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4026501
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$SPLASH: splash10-0006-9100000000-1005b74eeee7aefc15d2
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
27 7.54 75
29 3.48 35
39 12.38 124
40 1.19 12
41 11.25 113
42 1.67 17
43 4.69 47
50 1.45 15
51 4.3 43
52 2.19 22
53 6.99 70
55 5.02 50
63 1.78 18
65 5.24 52
66 2.06 21
67 6.2 62
68 2.99 30
69 1.09 11
77 25.02 250
78 4.73 47
79 20.1 201
80 7.87 79
81 3.14 31
91 28.46 285
92 32.94 329
93 99.99 999
94 8.64 86
95 1.91 19
103 1.65 17
105 8.73 87
106 2.49 25
107 5.75 58
108 1.38 14
119 1.81 18
121 13.71 137
122 1.24 12
136 8.9 89
137 1.27 13
//