MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006906
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006906
RECORD_TITLE: OCTYL PROPIONATE; 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$NAME: OCTYL PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H22O2
CH$EXACT_MASS: 186.16198
CH$SMILES: CCCCCCCCOC(=O)CC
CH$IUPAC: InChI=1S/C11H22O2/c1-3-5-6-7-8-9-10-13-11(12)4-2/h3-10H2,1-2H3
CH$LINK: INCHIKEY
CEQGYPPMTKWBIU-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3059717
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$SPLASH: splash10-0a6r-9000000000-85a6c9399d2a9ba7b4c4
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
26 1.5 15
27 20.72 207
28 6.76 68
29 58.78 588
30 1.18 12
31 2.56 26
39 8.01 80
40 1.54 15
41 33.75 338
42 20.03 200
43 31.17 312
44 1.45 15
53 2.01 20
54 2.57 26
55 27.06 271
56 33.17 332
57 99.99 999
58 2.77 28
67 2.01 20
68 4.81 48
69 20.7 207
70 33.76 338
71 10.62 106
72 1.66 17
74 1.82 18
75 43.05 431
76 1.15 12
82 3.62 36
83 18.94 189
84 20.64 206
85 1.58 16
87 2.81 28
97 1.65 17
112 11.78 118
113 1.02 10
130 1.04 10
//