MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006816
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006816
RECORD_TITLE: OCTYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: OCTYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H20O2
CH$EXACT_MASS: 172.14633
CH$SMILES: CCCCCCCCOC(C)=O
CH$IUPAC: InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3
CH$LINK: INCHIKEY
YLYBTZIQSIBWLI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8044202
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$SPLASH: splash10-0006-9000000000-699c43ddb8113422b57c
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
15 3.38 34
27 10.37 104
28 2.32 23
29 14.79 148
31 1.07 11
39 7.33 73
40 1.28 13
41 27.65 277
42 18.05 181
43 99.99 999
44 2.42 24
53 1.88 19
54 2.08 21
55 27.18 272
56 32.47 325
57 11.88 119
58 2.45 25
61 24.65 247
67 2.07 21
68 6.26 63
69 22.24 222
70 31.71 317
71 5 50
73 5.28 53
82 4.27 43
83 19.66 197
84 24.67 247
85 1.61 16
97 1.98 20
98 1.51 15
101 1.02 10
112 10.21 102
116 2.22 22
//