MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006486
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006486
RECORD_TITLE: TRANS-NEROLIDYL 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$NAME: TRANS-NEROLIDYL ACETATE
CH$NAME: 1,5,9-TRIMETHYL-1-VINYL-(4E)-4,8-DECADIENYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H28O2
CH$EXACT_MASS: 264.20893
CH$SMILES: CC(C)=CCCC(C)=C([H])CCC(C)(C=C)OC(C)=O
CH$IUPAC: InChI=1S/C17H28O2/c1-7-17(6,19-16(5)18)13-9-12-15(4)11-8-10-14(2)3/h7,10,12H,1,8-9,11,13H2,2-6H3/b15-12+
CH$LINK: INCHIKEY
PRNJXUQTUSFYLV-NTCAYCPXSA-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$SPLASH: splash10-0006-9200000000-3c55622886c673b1448f
PK$NUM_PEAK: 71
PK$PEAK: m/z int. rel.int.
15 1.89 19
27 6.6 66
29 5.81 58
39 7.46 75
40 1.03 10
41 64.64 646
42 4.47 45
43 82.21 822
44 1.31 13
45 2.15 22
51 1.47 15
52 1.45 15
53 12.89 129
54 2 20
55 32.13 321
56 3.44 34
57 2.36 24
65 3.13 31
66 1.79 18
67 20.24 202
68 16.96 170
69 99.99 999
70 6.31 63
71 12.85 129
72 1.58 16
77 6.29 63
78 2 20
79 21.69 217
80 36.76 368
81 23.29 233
82 4.12 41
83 1.09 11
84 1.21 12
85 1.81 18
91 12.07 121
92 5.04 50
93 94.89 949
94 8.86 89
95 6.93 69
96 1.38 14
97 1.93 19
105 9.15 92
106 2.73 27
107 42.6 426
108 5.11 51
109 6.86 69
111 1.48 15
113 2.48 25
115 1.27 13
119 12.37 124
120 4.2 42
121 8.88 89
122 3.44 34
123 15.84 158
124 3.46 35
125 1 10
133 4.98 50
134 3.05 31
135 13.58 136
136 6.43 64
137 2.69 27
147 3.8 38
148 2.3 23
149 2 20
153 1.29 13
161 7.24 72
162 1.42 14
189 4.09 41
195 4.12 41
204 4.37 44
205 1.09 11
//
system version 2.2.8-SNAPSHOT