MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001012
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001012
RECORD_TITLE: PHTHALIC ACID DIPROPYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: PHTHALIC ACID DIPROPYL ESTER
CH$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: HITACHI RMU-7M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0002-2900000000-bf0ca540c11ac034703b
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
27 3.39 34
29 1.29 13
31 1.54 15
39 1.85 19
41 5.73 57
42 1.91 19
43 9.25 93
50 1.23 12
65 2.77 28
76 3.02 30
77 1.85 19
93 3.33 33
104 3.08 31
105 4.07 41
121 2.96 30
122 2.16 22
123 1.23 12
149 99.99 999
150 8.82 88
151 1.11 11
191 6.23 62
192 1 10
209 4.5 45
//