MassBank Record: JP003308



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

ACCESSION: JP003308
RECORD_TITLE: DIAMYL 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$NAME: DIAMYL PHTHALATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C18H26O4 CH$EXACT_MASS: 306.18311 CH$SMILES: CCCCCOC(=O)c(c1)c(ccc1)C(=O)OCCCCC CH$IUPAC: InChI=1S/C18H26O4/c1-3-5-9-13-21-17(19)15-11-7-8-12-16(15)18(20)22-14-10-6-4-2/h7-8,11-12H,3-6,9-10,13-14H2,1-2H3
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$SPLASH: splash10-0002-5910000000-45caeb462fc4c9036ff6 PK$NUM_PEAK: 34 PK$PEAK: m/z int. rel.int. 43 22.1 221 44 0.7 7 45 2.2 22 50 1.2 12 54 8.2 82 55 3.1 31 56 6.9 69 65 0.17 2 69 1.7 17 70 13.2 132 71 8.4 84 72 0.07 1 76 2.2 22 77 1.2 12 93 1.7 17 101 0.13 1 104 2.2 22 105 1.6 16 121 1.5 15 122 0.13 1 123 0.8 8 127 0.7 7 142 0.7 7 149 99.99 999 150 9.3 93 151 1.2 12 167 1.6 16 219 0.51 5 220 1.2 12 223 1.4 14 237 11.9 119 238 0.14 1 306 1.3 13 307 0.7 7 //