MassBank Record: JP001753



 1,2-BENZENEDICARBOXYLIC ACID DIPROPYL ESTER; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001753
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ACID DIPROPYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 1,2-BENZENEDICARBOXYLIC ACID DIPROPYL ESTER CH$NAME: DIPROPYL PHTHALATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H18O4 CH$EXACT_MASS: 250.12051 CH$SMILES: CCCOC(=O)c(c1)c(ccc1)C(=O)OCCC CH$IUPAC: InChI=1S/C14H18O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h5-8H,3-4,9-10H2,1-2H3
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0002-1910000000-69554547fcc8a17eec8b PK$NUM_PEAK: 60 PK$PEAK: m/z int. rel.int. 27 2.29 23 29 0.27 3 39 0.27 3 41 5.52 55 42 2.66 27 43 16.94 169 44 0.55 6 59 1.35 14 65 2.34 23 76 0.67 7 77 1.07 11 78 0.18 2 79 0.22 2 91 0.2 2 93 3.69 37 94 0.29 3 98 0.46 5 104 4.49 45 105 8.2 82 106 2.53 25 107 0.44 4 116 2.67 27 117 0.33 3 118 0.11 1 119 0.43 4 120 0.12 1 121 5.19 52 122 7.02 70 123 2.84 28 124 0.2 2 131 0.16 2 132 1.4 14 133 0.44 4 135 3.11 31 136 0.3 3 146 5.07 51 147 1.06 11 149 99.99 999 150 22.01 220 151 2.72 27 152 0.14 1 162 0.18 2 163 0.65 7 164 0.98 10 165 0.21 2 167 1.65 17 168 0.13 1 175 1.01 10 189 0.2 2 191 32.82 328 192 4.74 47 193 0.62 6 205 0.12 1 209 21.39 214 210 2.48 25 211 0.23 2 250 0.89 9 251 9.09 91 252 1.27 13 253 0.14 1 //