MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007120
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007120
RECORD_TITLE: GAMMA-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$NAME: GAMMA-TERPINENE
CH$NAME: 1-ISOPROPYL-4-METHYL-1,4-CYCLOHEXADIENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H16
CH$EXACT_MASS: 136.12520
CH$SMILES: CC(C)C(C1)=C([H])CC(C)=C([H])1
CH$IUPAC: InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3
CH$LINK: CAS
99-85-4
CH$LINK: INCHIKEY
YKFLAYDHMOASIY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6041210
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$SPLASH: splash10-0006-9200000000-b05d52aa0731550051f6
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
15 1.23 12
27 12.02 120
29 4.03 40
39 14.02 140
40 1.46 15
41 15.47 155
43 19.48 195
50 1.48 15
51 7.28 73
52 2.33 23
53 6.95 70
55 2.68 27
63 2.67 27
65 7.42 74
66 1.18 12
67 2.28 23
77 30.65 307
78 6.05 61
79 19.05 191
80 7.56 76
81 1.45 15
89 1.26 13
91 35.42 354
92 20.74 207
93 99.99 999
94 8.67 87
103 1.9 19
104 1.12 11
105 9.47 95
106 1.88 19
107 7.11 71
115 1.24 12
117 1 10
119 2.51 25
121 28.27 283
122 2.38 24
136 33.14 331
137 2.89 29
//
system version 2.2.6-SNAPSHOT