MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001753
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001753
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ACID DIPROPYL 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$NAME: 1,2-BENZENEDICARBOXYLIC ACID DIPROPYL ESTER
CH$NAME: DIPROPYL PHTHALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H18O4
CH$EXACT_MASS: 250.12051
CH$SMILES: CCCOC(=O)c(c1)c(ccc1)C(=O)OCCC
CH$IUPAC: InChI=1S/C14H18O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h5-8H,3-4,9-10H2,1-2H3
CH$LINK: INCHIKEY
MQHNKCZKNAJROC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5031133
AC$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$SPLASH: splash10-0002-1910000000-69554547fcc8a17eec8b
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
27 2.29 23
29 0.27 3
39 0.27 3
41 5.52 55
42 2.66 27
43 16.94 169
44 0.55 6
59 1.35 14
65 2.34 23
76 0.67 7
77 1.07 11
78 0.18 2
79 0.22 2
91 0.2 2
93 3.69 37
94 0.29 3
98 0.46 5
104 4.49 45
105 8.2 82
106 2.53 25
107 0.44 4
116 2.67 27
117 0.33 3
118 0.11 1
119 0.43 4
120 0.12 1
121 5.19 52
122 7.02 70
123 2.84 28
124 0.2 2
131 0.16 2
132 1.4 14
133 0.44 4
135 3.11 31
136 0.3 3
146 5.07 51
147 1.06 11
149 99.99 999
150 22.01 220
151 2.72 27
152 0.14 1
162 0.18 2
163 0.65 7
164 0.98 10
165 0.21 2
167 1.65 17
168 0.13 1
175 1.01 10
189 0.2 2
191 32.82 328
192 4.74 47
193 0.62 6
205 0.12 1
209 21.39 214
210 2.48 25
211 0.23 2
250 0.89 9
251 9.09 91
252 1.27 13
253 0.14 1
//
system version 2.2.8-SNAPSHOT