MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009220
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009220
RECORD_TITLE: BENZYL 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$NAME: BENZYL DECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H26O2
CH$EXACT_MASS: 262.19328
CH$SMILES: CCCCCCCCCC(=O)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C17H26O2/c1-2-3-4-5-6-7-11-14-17(18)19-15-16-12-9-8-10-13-16/h8-10,12-13H,2-7,11,14-15H2,1H3
CH$LINK: INCHIKEY
ZSAYVPCIKVBDRI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID20194995
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$SPLASH: splash10-0006-9200000000-4773fa1dcfc89b83f46c
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
27 8.9 89
29 13.1 131
39 7.8 78
41 2.55 26
42 4.7 47
43 26.8 268
51 3.5 35
53 0.17 2
54 1.1 11
55 12.8 128
56 3 30
57 1.22 12
63 1.9 19
65 12 120
67 1.2 12
68 0.12 1
69 10 100
70 1.2 12
71 7.5 75
73 0.11 1
77 4.9 49
78 1.5 15
79 5 50
81 0.15 2
83 3.2 32
84 1.6 16
85 3.8 38
89 0.27 3
90 5.9 59
91 99.99 999
92 18.6 186
93 0.14 1
95 1.8 18
97 2.7 27
105 1.9 19
107 0.41 4
108 41.2 412
109 2.8 28
111 2.7 27
135 0.22 2
153 4.1 41
155 4 40
171 3.7 37
262 1.4 14
//
system version 2.2.6-SNAPSHOT