MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010682
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010682
RECORD_TITLE: T-MUUROLOL; 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$NAME: T-MUUROLOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H26O
CH$EXACT_MASS: 222.19837
CH$SMILES: CC(C2)=CC([H])(C([H])(C(C)C)1)C([H])(C2)C(C)(O)CC1
CH$IUPAC: InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13-,14-,15-/m0/s1
CH$LINK: INCHIKEY
LHYHMMRYTDARSZ-AJNGGQMLSA-N
CH$LINK: COMPTOX
DTXSID10173698
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$SPLASH: splash10-0nmm-9720000000-d61b008e19718e3ffe74
PK$NUM_PEAK: 67
PK$PEAK: m/z int. rel.int.
41 30 300
42 3 30
43 80 800
44 0.3 3
53 20 200
54 1.5 15
55 23 230
56 0.3 3
57 6.5 65
58 21 210
59 5 50
65 0.5 5
67 15 150
68 4 40
69 28 280
70 0.5 5
71 38 380
77 16 160
78 4 40
79 3.1 31
80 11 110
82 35 350
83 12 120
91 2.1 21
92 13 130
93 29 290
94 37 370
95 99.99 999
96 16 160
97 5 50
105 37 370
106 0.8 8
107 14 140
108 19 190
109 37 370
110 0.7 7
111 4 40
119 25 250
120 8 80
121 7.7 77
122 15 150
123 12 120
127 12 120
133 0.9 9
134 10 100
135 11 110
136 5 50
137 1.3 13
138 5 50
145 5 50
147 8 80
148 0.8 8
149 11 110
150 6 60
151 11 110
152 1.3 13
161 72 720
162 14 140
164 52 520
165 0.9 9
179 14 140
189 14 140
204 82 820
205 1.8 18
207 8 80
222 31.5 315
223 7 70
//
system version 2.2.6-SNAPSHOT