MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006430
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006430
RECORD_TITLE: ALLYL OCTANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: ALLYL OCTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H20O2
CH$EXACT_MASS: 184.14633
CH$SMILES: CCCCCCCC(=O)OCC=C
CH$IUPAC: InChI=1S/C11H20O2/c1-3-5-6-7-8-9-11(12)13-10-4-2/h4H,2-3,5-10H2,1H3
CH$LINK: INCHIKEY
PZGMUSDNQDCNAG-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9063370
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$SPLASH: splash10-0a6u-9200000000-9c58916f7999e9c1a456
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
15 1.2 12
26 1.56 16
27 19.57 196
29 26.78 268
31 1.13 11
39 26.87 269
40 1.14 11
41 94.48 945
42 13.01 130
43 42.65 427
44 1.27 13
45 1.89 19
53 2.15 22
54 9.87 99
55 46.84 468
56 13.05 131
57 99.99 999
58 11.25 113
59 2.98 30
60 1.17 12
67 5.52 55
68 1.07 11
69 6.51 65
70 1.61 16
71 2.14 21
73 1.46 15
81 4.04 40
82 5.02 50
83 15.67 157
84 3.43 34
85 2.21 22
95 1.05 11
97 9.46 95
98 2.14 21
99 2.26 23
100 31.36 314
101 3.65 37
109 4.7 47
113 12.44 124
125 4.01 40
127 50.87 509
128 4.58 46
141 2.41 24
155 1.22 12
//