MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001739
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001739
RECORD_TITLE: HEXANEDIOIC ACID DIHEXYL ESTER; EI-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$NAME: HEXANEDIOIC ACID DIHEXYL ESTER
CH$NAME: DIHEXYL ADIPATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H34O4
CH$EXACT_MASS: 314.24571
CH$SMILES: CCCCCCOC(=O)CCCCC(=O)OCCCCCC
CH$IUPAC: InChI=1S/C18H34O4/c1-3-5-7-11-15-21-17(19)13-9-10-14-18(20)22-16-12-8-6-4-2/h3-16H2,1-2H3
CH$LINK: INCHIKEY
HHECSPXBQJHZAF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9026841
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-01t9-9820000000-a4e40748f43f6c49311b
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
28 1.96 20
40 6.38 64
42 9.63 96
43 47.11 471
69 16.37 164
70 6.41 64
71 4.38 44
82 7.66 77
83 14.7 147
84 18.21 182
85 14.26 143
87 28.74 287
97 8.14 81
98 2.9 29
100 11.46 115
101 11.99 120
111 25.93 259
112 5.51 55
128 3.13 31
129 99.99 999
130 6.22 62
171 2.23 22
184 11.57 116
213 53.11 531
214 6.28 63
231 1.67 17
//