MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001226
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001226
RECORD_TITLE: 1,2-CYCLOHEXYLENE DIACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: 1,2-CYCLOHEXYLENE DIACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H16O4
CH$EXACT_MASS: 200.10486
CH$SMILES: CC(=O)OC(C1)C(CCC1)OC(C)=O
CH$IUPAC: InChI=1S/C10H16O4/c1-7(11)13-9-5-3-4-6-10(9)14-8(2)12/h9-10H,3-6H2,1-2H3
CH$LINK: INCHIKEY
NSTPWRQTPXJRSP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID40938717
AC$INSTRUMENT: HITACHI RMU-6D
AC$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$SPLASH: splash10-0007-9200000000-591eb504bfcdbfb1b86b
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
16 6 60
18 5.5 55
19 16 160
27 0.3 3
28 4 40
29 2 20
39 4 40
41 0.7 7
42 2 20
43 99.99 999
44 3 30
55 0.15 2
57 3 30
61 4 40
66 3 30
68 0.4 4
69 8 80
77 5 50
78 3.5 35
79 0.2 2
81 3.5 35
96 18 180
97 42 420
98 0.3 3
110 1 10
111 20 200
112 2 20
114 1.4 14
115 6 60
123 1 10
131 2 20
141 7.35 74
142 7 70
157 8 80
158 6.5 65
//