MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007011
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007011
RECORD_TITLE: BUTYL 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$NAME: BUTYL NONANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H26O2
CH$EXACT_MASS: 214.19328
CH$SMILES: CCCCCCCCC(=O)OCCCC
CH$IUPAC: InChI=1S/C13H26O2/c1-3-5-7-8-9-10-11-13(14)15-12-6-4-2/h3-12H2,1-2H3
CH$LINK: INCHIKEY
DOLFPCDDMUMIMR-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID80198671
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$SPLASH: splash10-0a4l-9200000000-6e2ef76ad18f0e4054ab
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
27 14.43 144
29 30.6 306
31 1.38 14
39 8.81 88
41 47.72 477
42 8.81 88
43 29.81 298
45 1.53 15
53 1.86 19
54 1.68 17
55 23.74 237
56 99.99 999
57 52.42 524
58 2.18 22
60 27.12 271
61 11.74 117
67 2.18 22
68 1.84 18
69 8.94 89
70 2.28 23
71 15.52 155
72 1.03 10
73 22.01 220
74 2 20
81 2.61 26
83 3.53 35
84 3.17 32
87 4.12 41
89 2.12 21
96 1.43 14
97 3.1 31
98 2.24 22
101 4.57 46
103 1.67 17
112 1.02 10
115 5.94 59
116 6.33 63
117 1.5 15
129 8.54 85
141 37.65 377
142 3.3 33
158 3.48 35
159 50.07 501
160 4.47 45
//
system version 2.2.8-SNAPSHOT