MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005733
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005733
RECORD_TITLE: (1R)-(+)-ALPHA-PINENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: (1R)-(+)-ALPHA-PINENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H16
CH$EXACT_MASS: 136.12520
CH$SMILES: [H]C(C1)=C(C)C([H])(C2)C(C)(C)C([H])12
CH$IUPAC: InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m1/s1
CH$LINK: CAS
7785-70-8
CH$LINK: INCHIKEY
GRWFGVWFFZKLTI-RKDXNWHRSA-N
CH$LINK: COMPTOX
DTXSID7041671
AC$INSTRUMENT: HITACHI M-80
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-efa1a7d8bd0221192f0d
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
41 6.72 67
42 1.48 15
43 18.57 186
45 1.78 18
53 1.78 18
55 9.94 99
56 2.33 23
57 3.56 36
58 2.99 30
59 3.99 40
67 11.97 120
68 9.04 90
69 11.9 119
70 4.16 42
71 2.79 28
77 8.25 83
78 1.86 19
79 19.18 192
80 11.69 117
81 7.98 80
82 8.38 84
83 6.83 68
84 4.39 44
85 1.41 14
91 12.77 128
92 40.56 406
93 99.99 999
94 15.18 152
96 2.39 24
97 3.31 33
98 1.63 16
105 4.99 50
106 1.67 17
107 8.24 82
108 3.26 33
109 12.5 125
110 2.05 21
111 0.96 10
119 4.24 42
120 0.83 8
121 13.25 133
122 1.42 14
134 1.4 14
135 1.8 18
136 7.35 74
137 3.53 35
//