MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002889
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002889
RECORD_TITLE: MALONONITRILE; 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$NAME: MALONONITRILE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H2N2
CH$EXACT_MASS: 66.02180
CH$SMILES: N#CCC#N
CH$IUPAC: InChI=1S/C3H2N2/c4-2-1-3-5/h1H2
CH$LINK: INCHIKEY
CUONGYYJJVDODC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6021907
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-014i-9000000000-8187ebb3c4b6183394eb
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
26 3.34 33
28 11.39 114
38 25.79 258
39 22.14 221
40 4.76 48
64 5.24 52
65 8.43 84
66 99.99 999
67 4.17 42
//