MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008070
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008070
RECORD_TITLE: ADIPIC ACID BUTYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: ADIPIC ACID BUTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H26O4
CH$EXACT_MASS: 258.18311
CH$SMILES: CCCCOC(=O)CCCCC(=O)OCCCC
CH$IUPAC: InChI=1S/C14H26O4/c1-3-5-11-17-13(15)9-7-8-10-14(16)18-12-6-4-2/h3-12H2,1-2H3
CH$LINK: INCHIKEY
XTJFFFGAUHQWII-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2021866
AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0550-3900000000-d304ddf716a9a24e328f
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
29 3.37 34
41 6.34 63
43 3.86 39
55 4.66 47
56 29.83 298
57 16.65 167
59 1.59 16
60 4.96 50
61 1.98 20
69 1.59 16
73 5.85 59
74 0.99 10
82 0.99 10
83 6.54 65
84 3.27 33
87 30.33 303
88 1.39 14
99 0.99 10
100 17.34 173
101 19.43 194
102 3.57 36
103 1.59 16
110 1.49 15
111 29.04 290
112 6.05 61
116 1.29 13
128 3.07 31
129 76.61 766
130 5.95 60
142 1.39 14
143 31.62 316
144 3.07 31
156 29.04 290
157 4.16 42
158 3.96 40
184 3.17 32
185 99.99 999
186 11.69 117
187 1.59 16
203 4.86 49
258 3.17 32
//