MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001150
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001150
RECORD_TITLE: METHYL 3-OXO-5-(1-CYCLOPENTENYL)PENTANOATE; 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$NAME: METHYL 3-OXO-5-(1-CYCLOPENTENYL)PENTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H16O3
CH$EXACT_MASS: 196.10994
CH$SMILES: COC(=O)CC(=O)CCC(C1)=CCC1
CH$IUPAC: InChI=1S/C11H16O3/c1-14-11(13)8-10(12)7-6-9-4-2-3-5-9/h4H,2-3,5-8H2,1H3
CH$LINK: INCHIKEY
XIEUINFEKFZBLX-UHFFFAOYSA-N
AC$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: splash10-003v-9200000000-9cace6806cdfca6bb200
PK$NUM_PEAK: 90
PK$PEAK: m/z int. rel.int.
39 49 490
40 10 100
41 58 580
42 15 150
43 28 280
44 3 30
45 3 30
46 1 10
47 1 10
50 3 30
51 10 100
52 8 80
53 31 310
54 5 50
55 26 260
56 3 30
57 9 90
59 34 340
60 1 10
61 1 10
62 1 10
63 3 30
64 1 10
65 16 160
66 14 140
67 34 340
68 4 40
69 49 490
70 1 10
71 2 20
74 9 90
75 3 30
77 26 260
78 9 90
79 99.99 999
80 97 970
81 49 490
82 3 30
83 1 10
84 6 60
85 3 30
91 16 160
92 3 30
93 16 160
94 70 700
95 80 800
96 8 80
97 1 10
98 1 10
101 24 240
102 1 10
103 2 20
104 5 50
105 10 100
106 2 20
107 4 40
108 5 50
109 2 20
115 1 10
116 7 70
117 5 50
118 5 50
119 8 80
120 1 10
121 5 50
122 60 600
123 24 240
124 3 30
127 1 10
129 1 10
133 1 10
134 1 10
135 2 20
136 4 40
137 2 20
138 1 10
146 1 10
147 1 10
148 1 10
149 1 10
153 1 10
159 1 10
163 1 10
164 4 40
165 3 30
178 26 260
179 3 30
184 1 10
196 17 170
197 3 30
//
system version 2.2.8-SNAPSHOT