MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006409
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006409
RECORD_TITLE: TERPINYL BUTYRATE; 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$NAME: TERPINYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H24O2
CH$EXACT_MASS: 224.17763
CH$SMILES: CCCC(=O)OC(C)(C)C([H])(C1)CC=C(C)C1
CH$IUPAC: InChI=1S/C14H24O2/c1-5-6-13(15)16-14(3,4)12-9-7-11(2)8-10-12/h7,12H,5-6,8-10H2,1-4H3/t12-/m0/s1
CH$LINK: INCHIKEY
LWKWNIYBQLKBMQ-LBPRGKRZSA-N
AC$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: splash10-0076-9500000000-a12ab74e1c6ec7dd4e83
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
27 12.12 121
29 6.43 64
31 1.69 17
39 8.23 82
40 2.07 21
41 34.02 340
42 3.75 38
43 54.1 541
44 1.92 19
45 1.2 12
51 1.8 18
52 1.12 11
53 7.39 74
54 1.15 12
55 7.63 76
59 4.38 44
60 2 20
65 2.85 29
66 1.32 13
67 13.36 134
68 8.41 84
69 9.99 100
71 59.52 595
72 2.58 26
73 1.07 11
77 7.71 77
78 2.08 21
79 13.29 133
80 6.42 64
81 27.28 273
82 2.27 23
91 7.27 73
92 17.09 171
93 67.07 671
95 9.79 98
105 3.48 35
106 1.01 10
107 10.01 100
108 5.87 59
109 1.19 12
119 1.1 11
121 99.99 999
122 8.73 87
123 2.17 22
129 1.36 14
136 75.44 754
137 21.45 215
138 1.73 17
139 1.5 15
209 1.84 18
//