MassBank Record: JP003371



 BUTOXYCARBONYLMETHYL BUTYL PHTHALATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP003371
RECORD_TITLE: BUTOXYCARBONYLMETHYL BUTYL PHTHALATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: BUTOXYCARBONYLMETHYL BUTYL PHTHALATE CH$NAME: BUTYL PHTHALYL BUTYL GLYCOLATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C18H24O6 CH$EXACT_MASS: 336.15729 CH$SMILES: CCCCOC(=O)COC(=O)c(c1)c(ccc1)C(=O)OCCCC CH$IUPAC: InChI=1S/C18H24O6/c1-3-5-11-22-16(19)13-24-18(21)15-10-8-7-9-14(15)17(20)23-12-6-4-2/h7-10H,3-6,11-13H2,1-2H3
AC$INSTRUMENT: JEOL JMS-01-SG-2 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0002-4920000000-55fa827b025ddd083bd7 PK$NUM_PEAK: 24 PK$PEAK: m/z int. rel.int. 54 3.6 36 55 10.3 103 56 16.5 165 65 5.3 53 76 8.1 81 77 10.3 103 93 3.4 34 104 0.88 9 105 4.6 46 121 3.3 33 132 2.1 21 133 0.94 9 149 99.99 999 150 10.7 107 163 4.2 42 177 0.21 2 205 9 90 207 3.9 39 223 8.7 87 263 2.44 24 264 3.5 35 278 3.3 33 281 2.9 29 336 2.3 23 //