MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001759
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001759
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ACID HEXYL METHYLESTER; 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$NAME: 1,2-BENZENEDICARBOXYLIC ACID HEXYL METHYLESTER
CH$NAME: METHYLHEXYL PHTHALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H20O4
CH$EXACT_MASS: 264.13616
CH$SMILES: CCCCCCOC(=O)c(c1)c(ccc1)C(=O)OC
CH$IUPAC: InChI=1S/C15H20O4/c1-3-4-5-8-11-19-15(17)13-10-7-6-9-12(13)14(16)18-2/h6-7,9-10H,3-5,8,11H2,1-2H3
CH$LINK: INCHIKEY
XXLNRTDEQNSKEZ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID10188181
AC$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$SPLASH: splash10-03dj-2900000000-4cc3259411230c257b87
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
17 0.13 1
18 5.29 53
27 0.82 8
28 4.25 43
29 0.94 9
32 0.62 6
42 3.12 31
43 9.59 96
55 4.23 42
56 9.26 93
57 0.81 8
69 3.22 32
77 3.42 34
83 0.34 3
84 2.43 24
85 0.86 9
91 1.11 11
92 2.89 29
93 0.3 3
104 1.34 13
105 2.88 29
106 0.23 2
121 0.26 3
132 0.46 5
133 1.15 12
135 3.64 36
136 1.93 19
149 80.66 807
150 7.95 80
151 0.73 7
163 99.99 999
164 11.54 115
165 1.22 12
181 18.3 183
182 1.7 17
//
system version 2.2.8-SNAPSHOT