MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003388
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003388
RECORD_TITLE: DI(2-ETHYL HEXYL) ADIPATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: DI(2-ETHYL HEXYL) ADIPATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H42O4
CH$EXACT_MASS: 370.30831
CH$SMILES: CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC
CH$IUPAC: InChI=1S/C22H42O4/c1-5-9-13-19(7-3)17-25-21(23)15-11-12-16-22(24)26-18-20(8-4)14-10-6-2/h19-20H,5-18H2,1-4H3
CH$LINK: INCHIKEY
SAOKZLXYCUGLFA-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0020606
AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0adi-8920000000-303185c662d6b7d184b4
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
53 2.2 22
54 28.1 281
55 16 160
56 61.8 618
57 3.2 32
58 3 30
67 2.1 21
69 0.95 10
70 33 330
71 26.4 264
82 3.6 36
83 1.63 16
84 9.4 94
87 6.3 63
100 5.4 54
101 0.91 9
102 2.6 26
111 11.9 119
112 41.6 416
113 1.64 16
128 4.2 42
129 99.99 999
130 6.4 64
142 0.4 4
143 2.1 21
146 2.8 28
147 30 300
185 0.63 6
199 2.8 28
212 2.2 22
241 17.8 178
242 0.32 3
258 2.3 23
259 29 290
260 5.6 56
370 0.56 6
371 6.3 63
//
system version 2.2.6-SNAPSHOT