MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007191
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007191
RECORD_TITLE: DECYL NONANOATE; 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$NAME: DECYL NONANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H38O2
CH$EXACT_MASS: 298.28718
CH$SMILES: CCCCCCCCCCOC(=O)CCCCCCCC
CH$IUPAC: InChI=1S/C19H38O2/c1-3-5-7-9-11-12-14-16-18-21-19(20)17-15-13-10-8-6-4-2/h3-18H2,1-2H3
CH$LINK: INCHIKEY
KEGIMMCZWZCLGJ-UHFFFAOYSA-N
AC$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: splash10-0a4l-9300000000-118da093eeb901a76c2d
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
27 10.9 109
29 23.8 238
30 1.11 11
31 1.15 12
39 6.7 67
41 63.86 639
42 18.14 181
43 99.99 999
44 1.19 12
45 1.82 18
53 2.94 29
54 6.12 61
55 62.56 626
56 42.29 423
57 80.05 801
58 3.55 36
59 1.42 14
60 8.98 90
61 21.37 214
67 6.51 65
68 11.08 111
69 38.89 389
70 41.82 418
71 41.81 418
72 2.2 22
73 12.45 125
74 1.5 15
79 1.12 11
81 4.89 49
82 13.79 138
83 34.58 346
84 28.32 283
85 15.31 153
86 1.23 12
87 4.52 45
89 2.77 28
95 1.94 19
96 6.8 68
97 32.59 326
98 20.53 205
99 3.35 34
101 3.15 32
103 2.05 21
110 2.39 24
111 15.03 150
112 23.76 238
113 2.27 23
115 6.68 67
116 3.4 34
123 1.29 13
125 1.22 12
129 6 60
139 1.7 17
140 48.8 488
141 39.26 393
142 3.28 33
157 1.25 13
158 8.79 88
159 99.57 996
160 8.86 89
185 2.94 29
214 1.2 12
298 1.69 17
//
system version 2.2.6-SNAPSHOT