MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005816
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005816
RECORD_TITLE: BENZYL BUTYL PHTHALATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: BENZYL BUTYL PHTHALATE
CH$NAME: PHTHALIC ACID BENZYL BUTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H20O4
CH$EXACT_MASS: 312.13616
CH$SMILES: CCCCOC(=O)c(c2)c(ccc2)C(=O)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C19H20O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3
CH$LINK: COMPTOX
DTXSID3020205
CH$LINK: INCHIKEY
IRIAEXORFWYRCZ-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:2347
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0002-0930000000-0017c0d829036e58cd6a
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
56 1.42 14
91 15.54 155
92 1.63 16
104 4.43 44
105 3.98 40
106 1 10
107 3.44 34
122 4.85 49
123 16.05 161
124 1.1 11
132 15.77 158
133 2.08 21
135 7.83 78
136 1.92 19
149 99.99 999
150 11.73 117
151 1.09 11
177 1.14 11
178 6.52 65
205 6.6 66
206 42.39 424
207 5.84 58
238 5.06 51
239 1.35 14
312 1.77 18
313 0.52 5
//
system version 2.2.8-SNAPSHOT