MassBank MassBank Search Contents Download

MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005816

BENZYL BUTYL PHTHALATE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

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
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium
de.NBI logo
EAWAG logo
fnr logo
IPB logo
NORMAN logo
UFZ logo
LCSB logo
HBM4EU logo
nfdi4chem logo