MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004003
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004003
RECORD_TITLE: VALERONITRILE; 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$NAME: VALERONITRILE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H9N
CH$EXACT_MASS: 83.07350
CH$SMILES: CCCCC#N
CH$IUPAC: InChI=1S/C5H9N/c1-2-3-4-5-6/h2-4H2,1H3
CH$LINK: INCHIKEY
RFFFKMOABOFIDF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3026275
AC$INSTRUMENT: HITACHI RMU-6L
AC$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$SPLASH: splash10-004l-9000000000-5b742cee89fdaf664cfd
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
14 3.2 32
15 10 100
25 1.5 15
26 1.26 13
27 61 610
28 21.4 214
29 21.3 213
37 0.31 3
38 5.9 59
39 25.9 259
40 8.1 81
41 99.99 999
42 6.1 61
43 9.2 92
44 3 30
50 0.15 2
51 3.3 33
52 5 50
53 2.5 25
54 5.01 50
55 21 210
56 2.3 23
57 2.9 29
64 0.16 2
66 1.1 11
68 2 20
82 3 30
//
system version 2.2.8-SNAPSHOT