MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002570
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002570
RECORD_TITLE: PROPIONITRILE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: PROPIONITRILE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H5N
CH$EXACT_MASS: 55.04220
CH$SMILES: CCC#N
CH$IUPAC: InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3
CH$LINK: INCHIKEY
FVSKHRXBFJPNKK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1021879
AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0fb9-9000000000-dba1aab77fa8fd55fa84
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
14 1.42 14
15 7.35 74
25 2.91 29
26 21.69 217
27 19.03 190
28 99.99 999
29 2.92 29
37 1.73 17
38 2.94 29
39 2.68 27
40 5.16 52
50 1.91 19
51 12.13 121
52 15.1 151
53 9.81 98
54 86.78 868
55 18.97 190
//