MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003350
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003350
RECORD_TITLE: DIETHYLENE GLYCOL DIBENZOATE; 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$NAME: DIETHYLENE GLYCOL DIBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H18O5
CH$EXACT_MASS: 314.11542
CH$SMILES: O(CCOC(=O)c(c2)cccc2)CCOC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C18H18O5/c19-17(15-7-3-1-4-8-15)22-13-11-21-12-14-23-18(20)16-9-5-2-6-10-16/h1-10H,11-14H2
CH$LINK: INCHIKEY
NXQMCAOPTPLPRL-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0026967
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$SPLASH: splash10-0a6s-7900000000-1966e58505abff004ce3
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
45 23 230
50 5.3 53
51 15.8 158
56 3 30
57 8.2 82
70 2.2 22
73 4.7 47
74 0.2 2
75 2.1 21
76 3.3 33
77 65.5 655
78 0.53 5
88 15.6 156
91 2.5 25
105 99.99 999
106 1.16 12
122 17.1 171
123 11.9 119
149 29.9 299
150 0.51 5
180 9.6 96
181 1.2 12
185 1.6 16
192 0.12 1
194 1.1 11
//
system version 2.2.6-SNAPSHOT