MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007095
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007095
RECORD_TITLE: OCTYL 2-METHYLBUTYRATE; 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$NAME: OCTYL 2-METHYLBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H26O2
CH$EXACT_MASS: 214.19328
CH$SMILES: CCCCCCCCOC(=O)C(C)CC
CH$IUPAC: InChI=1S/C13H26O2/c1-4-6-7-8-9-10-11-15-13(14)12(3)5-2/h12H,4-11H2,1-3H3
CH$LINK: INCHIKEY
BCOJVEMHTBSAOE-UHFFFAOYSA-N
AC$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: splash10-0pbc-9200000000-deeb56bfe2fe67b6bd5a
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
27 13.36 134
29 32.74 327
39 8.69 87
41 49.74 497
42 14.44 144
43 34.96 350
53 1.92 19
54 2.18 22
55 23.62 236
56 28.4 284
57 99.99 999
58 3.4 34
67 1.63 16
68 3.3 33
69 16.49 165
70 30.63 306
71 19.24 192
72 1.15 12
74 15.48 155
75 2.72 27
82 3.58 36
83 18.14 181
84 16.68 167
85 35.97 360
86 1.78 18
87 3.55 36
97 1.78 18
102 2.97 30
103 82.48 825
104 4.26 43
112 20.79 208
113 1.7 17
157 1.54 15
186 1.28 13
//