MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009582
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009582
RECORD_TITLE: BENZIL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA
CH$NAME: BENZIL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H10O2
CH$EXACT_MASS: 210.06808
CH$SMILES: c(c2)ccc(c2)C(=O)C(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C14H10O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H
CH$LINK: INCHIKEY
WURBFLDFSFBTLW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3044380
AC$INSTRUMENT: JEOL JMS-AX-505-H
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-5900000000-c6298baf2bc2b7eb3a9a
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
50 4.36 44
51 15.45 155
74 1.45 15
75 1.11 11
76 1.82 18
77 43 430
78 3.2 32
105 99.99 999
106 9.05 91
210 6.63 66
211 1.09 11
//
system version 2.2.6-SNAPSHOT