MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007327
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007327
RECORD_TITLE: ADIPIC ACID DIETHYL 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$NAME: ADIPIC ACID DIETHYL ESTER
CH$NAME: HEXANEDIOIC ACID DIETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H18O4
CH$EXACT_MASS: 202.12051
CH$SMILES: CCOC(=O)CCCCC(=O)OCC
CH$IUPAC: InChI=1S/C10H18O4/c1-3-13-9(11)7-5-6-8-10(12)14-4-2/h3-8H2,1-2H3
CH$LINK: CAS
141-28-6
CH$LINK: INCHIKEY
VIZORQUEIQEFRT-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2021999
AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-06vi-9700000000-7a65b1450b473fe4b8b7
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
15 3.34 33
26 3.13 31
27 32.16 322
28 21.74 217
29 93.57 936
30 2.58 26
31 5.18 52
39 8.45 85
40 1.57 16
41 23.37 234
42 9.4 94
43 26.71 267
44 1.5 15
45 16.42 164
53 3.07 31
54 5.31 53
55 54.45 545
56 16.49 165
57 5.86 59
58 2.11 21
59 11.86 119
60 19.49 195
61 13.49 135
68 3.88 39
69 6.47 65
70 7.5 75
71 1.5 15
73 21.06 211
74 3.88 39
82 2.86 29
83 25.21 252
84 7.5 75
85 1.9 19
86 1.57 16
87 12.6 126
88 23.03 230
89 1.5 15
99 4.63 46
100 6.13 61
101 36.59 366
102 3.68 37
110 4.63 46
111 99.16 992
112 9.67 97
113 1.27 13
114 2.38 24
115 62.08 621
116 4.5 45
127 1.5 15
128 56.83 568
129 17.31 173
130 4.09 41
156 13.56 136
157 99.99 999
158 9.13 91
159 1.22 12
//