MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007119
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007119
RECORD_TITLE: ALPHA-TERPINENE; 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$NAME: ALPHA-TERPINENE
CH$NAME: 1-ISOPROPYL-4-METHYL-1,3-CYCLOHEXADIENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H16
CH$EXACT_MASS: 136.12520
CH$SMILES: CC(C)C(C1)=C([H])C([H])=C(C)C1
CH$IUPAC: InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8H,5,7H2,1-3H3
CH$LINK: CAS
99-86-5
CH$LINK: INCHIKEY
YHQGMYUVUMAZJR-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9041237
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$SPLASH: splash10-006x-9500000000-e60fb974334faa2cf625
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
15 1.71 17
27 13.55 136
29 7.19 72
39 17.47 175
40 1.84 18
41 18.24 182
43 14.19 142
50 2.13 21
51 8.62 86
52 2.96 30
53 8.9 89
55 5.89 59
62 1.02 10
63 3.37 34
64 1.06 11
65 9.54 95
66 1.55 16
67 3.08 31
77 32.25 323
78 7.49 75
79 26.55 266
80 6.34 63
81 2.42 24
89 1.45 15
91 37.08 371
92 11.42 114
93 85.39 854
94 8.26 83
103 3.08 31
104 1.3 13
105 17.25 173
106 3.55 36
107 11.84 118
108 3.76 38
115 1.58 16
117 1.17 12
119 3.39 34
120 1.34 13
121 99.99 999
122 9.63 96
136 48.53 485
137 5.29 53
//