MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007196
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007196
RECORD_TITLE: ALLYL DECANOATE; 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$NAME: ALLYL DECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H24O2
CH$EXACT_MASS: 212.17763
CH$SMILES: CCCCCCCCCC(=O)OCC=C
CH$IUPAC: InChI=1S/C13H24O2/c1-3-5-6-7-8-9-10-11-13(14)15-12-4-2/h4H,2-3,5-12H2,1H3
CH$LINK: INCHIKEY
DQVOTEHORLHPRW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5069209
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$SPLASH: splash10-052f-9200000000-1717286a3d950c9e8936
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
15 1.08 11
26 1.15 12
27 17.38 174
29 27.51 275
31 1.03 10
39 22.84 228
41 99.99 999
42 13.64 136
43 63.34 633
44 1.52 15
45 1.61 16
53 2.63 26
54 12.34 123
55 42.99 430
56 16.05 161
57 39.19 392
58 10.89 109
59 1.76 18
60 1.29 13
67 7.43 74
68 2.41 24
69 30.28 303
70 3.55 36
71 30.87 309
72 1.87 19
73 3.03 30
79 1.11 11
81 9.36 94
82 5.31 53
83 11.87 119
84 4.79 48
85 16.85 169
86 1.01 10
87 1.39 14
93 1.18 12
95 8.35 84
97 7.17 72
98 3.35 34
99 3.83 38
100 40.8 408
101 5.83 58
109 1.8 18
111 6.13 61
113 18.48 185
114 1.37 14
127 1.86 19
135 2.74 27
153 2.38 24
155 34.36 344
156 3.56 36
169 4.5 45
//