MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009015
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009015
RECORD_TITLE: DIPROPYL ADIPATE; 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$NAME: DIPROPYL ADIPATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H22O4
CH$EXACT_MASS: 230.15181
CH$SMILES: CCCOC(=O)CCCCC(=O)OCCC
CH$IUPAC: InChI=1S/C12H22O4/c1-3-9-15-11(13)7-5-6-8-12(14)16-10-4-2/h3-10H2,1-2H3
CH$LINK: CAS
106-19-4
CH$LINK: INCHIKEY
NKOUWLLFHNBUDW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6044511
AC$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: splash10-024l-5900000000-fc76702babe73dc56312
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
26 1.08 11
27 8.05 81
28 5.2 52
29 3.34 33
31 11.38 114
32 2.47 25
39 4.84 48
41 19.35 194
42 11.37 114
43 29.21 292
45 1.86 19
54 1.77 18
55 26.23 262
56 8.14 81
57 2.89 29
58 2.36 24
59 7.64 76
60 8.42 84
61 7.62 76
68 1.35 14
69 2.37 24
73 7.02 70
74 1.63 16
82 1.57 16
83 11.98 120
84 4.23 42
85 1.3 13
87 23.01 230
88 1.23 12
99 1.66 17
100 15.75 158
101 26.81 268
102 3.99 40
103 1.32 13
110 2.41 24
111 54.5 545
112 5.9 59
115 2.22 22
128 2.19 22
129 74.04 740
130 4.74 47
142 26.82 268
143 3.15 32
144 1.76 18
170 3.28 33
171 99.99 999
172 8.79 88
173 1.15 12
189 1.08 11
//
system version 2.2.6-SNAPSHOT