MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003228
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003228
RECORD_TITLE: QUINOLINE-2-CARBONITRILE; 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$NAME: QUINOLINE-2-CARBONITRILE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H6N2
CH$EXACT_MASS: 154.05310
CH$SMILES: N#Cc(c1)nc(c2)c(ccc2)c1
CH$IUPAC: InChI=1S/C10H6N2/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-6H
CH$LINK: INCHIKEY
WDXARTMCIRVMAE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID00162475
AC$INSTRUMENT: HITACHI RMU-6E
AC$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$SPLASH: splash10-0ufr-4900000000-0f1c6efb1afa410f622c
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
63 14 140
75 22 220
76 27 270
77 14 140
87 7 70
101 13 130
102 17 170
127 21 210
128 15 150
154 99.99 999
//