MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004294
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004294
RECORD_TITLE: METHYL CYANIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: METHYL CYANIDE
CH$NAME: ACETONITRILE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C2H3N
CH$EXACT_MASS: 41.02655
CH$SMILES: CC#N
CH$IUPAC: InChI=1S/C2H3N/c1-2-3/h1H3
CH$LINK: CAS
75-05-8
CH$LINK: INCHIKEY
WEVYAHXRMPXWCK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7020009
AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0006-9000000000-6af7455c7bc61c954070
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
14 4.34 43
26 1.35 14
27 1 10
28 1 10
38 8.54 85
39 16.44 164
40 50.39 504
41 99.99 999
42 4.2 42
//