MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008473
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008473
RECORD_TITLE: CYCLOHEXYL 2-METHYLPROPIONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: CYCLOHEXYL 2-METHYLPROPIONATE
CH$NAME: CYCLOHEXYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H18O2
CH$EXACT_MASS: 170.13068
CH$SMILES: CC(C)C(=O)OC(C1)CCCC1
CH$IUPAC: InChI=1S/C10H18O2/c1-8(2)10(11)12-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
CH$LINK: INCHIKEY
IYYXBWAISHVFEX-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4061543
AC$INSTRUMENT: HITACHI M-80B
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: splash10-0016-9000000000-f21f9c766a385cd8c337
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
15 1.67 17
26 1.27 13
27 29.29 293
28 4.36 44
29 13.79 138
31 1.12 11
39 22.05 221
40 3.82 38
41 57.71 577
42 11.05 111
43 99.99 999
44 7.62 76
45 1.38 14
53 5.97 60
54 14.71 147
55 64.44 644
56 4.98 50
57 10.21 102
67 37.1 371
68 1.81 18
70 1.83 18
71 57.9 579
72 2.39 24
73 1.46 15
79 1.43 14
81 9.87 99
82 57.22 572
83 93.98 940
84 6.34 63
86 1.53 15
88 2.14 21
89 62 620
90 2.37 24
99 2.89 29
127 4.43 44
//