MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008514
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008514
RECORD_TITLE: DIBUTYL PHTHALATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: DIBUTYL PHTHALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H22O4
CH$EXACT_MASS: 278.15181
CH$SMILES: CCCCOC(=O)c(c1)c(ccc1)C(=O)OCCCC
CH$IUPAC: InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3
CH$LINK: INCHIKEY
DOIRQSBPFJWKBE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2021781
AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0002-5900000000-bb309d93583ab774d1f9
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
27 6.08 61
29 8.05 81
31 3.48 35
39 4.21 42
41 14.63 146
42 1.69 17
43 3.81 38
50 2.33 23
55 2.24 22
56 9.73 97
57 6.77 68
65 3.94 39
76 6.8 68
77 1.44 14
93 1.97 20
104 7.2 72
105 2.39 24
121 1.59 16
122 1.31 13
149 99.99 999
150 9.59 96
205 4.29 43
223 4.97 50
//