MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010685
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010685
RECORD_TITLE: LIGULOXIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: EGUCHI S, FAC. OF SCIENCE, HIROSHIMA UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: LIGULOXIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H26O
CH$EXACT_MASS: 222.19837
CH$SMILES: CC(C2)C([H])(C3)C(C(C)C3)(C1)OC(C)(C)C(C2)1
CH$IUPAC: InChI=1S/C15H26O/c1-10-5-7-12-9-15(16-14(12,3)4)11(2)6-8-13(10)15/h10-13H,5-9H2,1-4H3/t10-,11+,12+,13+,15-/m0/s1
CH$LINK: INCHIKEY
GXMJXGUEPXEOGR-BGPZULBFSA-N
AC$INSTRUMENT: HITACHI RMU-6L
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: splash10-0a4i-9830000000-c450c7e8908125813282
PK$NUM_PEAK: 68
PK$PEAK: m/z int. rel.int.
41 35 350
42 9 90
43 26 260
53 1.2 12
54 4 40
55 39 390
56 6 60
57 0.7 7
59 4 40
65 4.5 45
67 21 210
68 1 10
69 27 270
70 5 50
71 9 90
77 0.8 8
79 15 150
80 7 70
81 40 400
82 1.3 13
83 12 120
84 4 40
91 11 110
92 0.4 4
93 18 180
94 11.5 115
95 32 320
96 0.8 8
97 9.5 95
98 4 40
105 10 100
106 0.4 4
107 23 230
108 18 180
109 30 300
110 1.2 12
111 7 70
119 12 120
120 4 40
121 1.3 13
122 12 120
123 13 130
124 12 120
125 1.3 13
126 12.5 125
133 9 90
135 11 110
136 0.5 5
137 32 320
138 6 60
139 4 40
147 0.6 6
149 28 280
150 6 60
151 9 90
161 0.9 9
163 8 80
164 20 200
165 6 60
173 0.4 4
179 5 50
189 37 370
190 7 70
204 0.5 5
207 99.99 999
208 16 160
221 3 30
222 14 140
//
system version 2.2.6-SNAPSHOT