MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001151
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001151
RECORD_TITLE: METHYL 4-OXOTRICYCLO(4.3.0.0(1,5))NONANE-5-CARBOXYLATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAKAYAMA M, MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: METHYL 4-OXOTRICYCLO(4.3.0.0(1,5))NONANE-5-CARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H14O3
CH$EXACT_MASS: 194.09429
CH$SMILES: COC(=O)C(C(=O)2)(C31)C(CCC3)(CC2)1
CH$IUPAC: InChI=1S/C11H14O3/c1-14-9(13)11-7-3-2-5-10(7,11)6-4-8(11)12/h7H,2-6H2,1H3
CH$LINK: INCHIKEY
JHOMMICRSSKRMH-UHFFFAOYSA-N
AC$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: splash10-03dl-8900000000-d1435e053228702ed3ea
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
40 5 50
41 21 210
42 5 50
43 9 90
44 5 50
50 7 70
51 16 160
52 11 110
53 16 160
54 4 40
55 21 210
56 3 30
59 12 120
60 3 30
65 13 130
66 10 100
67 12 120
68 4 40
77 32 320
78 17 170
79 37 370
80 7 70
91 47 470
92 23 230
93 78 780
94 12 120
95 8 80
105 14 140
106 20 200
107 21 210
108 8 80
109 4 40
119 8 80
120 9 90
121 8 80
122 4 40
133 10 100
134 25 250
135 28 280
136 4 40
137 8 80
138 7 70
139 3 30
151 7 70
152 48 480
153 8 80
154 4 40
161 4 40
162 99.99 999
163 43 430
164 4 40
165 3 30
166 36 360
167 4 40
194 10 100
195 3 30
//
system version 2.2.8-SNAPSHOT