MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001716
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001716
RECORD_TITLE: HEXANEDIOIC ACID BIS(2-ETHYLHEXYL) ESTER; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: HEXANEDIOIC ACID BIS(2-ETHYLHEXYL) ESTER
CH$NAME: DI(2-ETHYLHEXYL) 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: Unknown
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-00fr-1945000000-cc312ed1f7d3b6214b1c
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
65 0.48 5
66 0.54 5
67 0.51 5
69 4.97 50
70 7.23 72
71 11.39 114
77 2.68 27
79 0.36 4
83 5 50
85 2.26 23
91 0.49 5
101 1.64 16
111 4.83 48
112 6.84 68
113 15.42 154
129 99.99 999
130 6.16 62
147 44.55 446
148 1.94 19
169 4.13 41
171 1.46 15
187 1.48 15
189 1.1 11
241 28.42 284
242 4.18 42
259 52.74 527
260 7.78 78
301 1.21 12
369 0.58 6
371 92.43 924
372 22.64 226
373 2.69 27
//