MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005667
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005667
RECORD_TITLE: BENZONITRILE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: BENZONITRILE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H5N
CH$EXACT_MASS: 103.04220
CH$SMILES: N#Cc(c1)cccc1
CH$IUPAC: InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H
CH$LINK: INCHIKEY
JFDZBHWFFUWGJE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7021491
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0ufr-9700000000-8050afa6cc9ac952013b
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
39 9.62 96
50 16.48 165
51 4.02 40
52 13.92 139
53 3.6 36
56 4.33 43
63 6.14 61
64 2.26 23
75 3.83 38
76 75.73 757
77 23.39 234
78 1.04 10
102 5.38 54
103 99.99 999
104 30.11 301
//