MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006479
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006479
RECORD_TITLE: ALPHA-TERPINYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: ALPHA-TERPINYL ACETATE
CH$NAME: P-MENTH-1-EN-8-YL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H20O2
CH$EXACT_MASS: 196.14633
CH$SMILES: CC(=O)OC(C)(C)C(C1)CC=C(C)C1
CH$IUPAC: InChI=1S/C12H20O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h5,11H,6-8H2,1-4H3
CH$LINK: INCHIKEY
IGODOXYLBBXFDW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2026496
AC$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-ffe7aaa2d3a38a8ed5b8
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
15 1.38 14
18 1.22 12
27 5.26 53
28 1.79 18
29 4.01 40
31 1.24 12
39 8.95 90
40 2.14 21
41 18.49 185
42 1.81 18
43 82.49 825
44 1.85 19
45 1.12 11
51 2.06 21
52 1.16 12
53 9.59 96
54 1.17 12
55 7.93 79
57 1.01 10
59 18.52 185
65 3.12 31
66 1.48 15
67 12.97 130
68 8.89 89
69 7.76 78
71 1.69 17
77 11.23 112
78 2.15 22
79 14.79 148
80 7.46 75
81 17.08 171
82 1.27 13
91 9.49 95
92 13.66 137
93 70.98 710
94 9.78 98
95 14.2 142
96 1.19 12
101 2.91 29
105 5.2 52
106 1.16 12
107 11.22 112
108 5.8 58
109 1.05 11
119 1.39 14
121 99.99 999
122 9.89 99
123 2.4 24
136 69.98 700
137 12.18 122
138 1.55 16
139 7.53 75
181 1.11 11
//