MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002571
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002571
RECORD_TITLE: N-BUTYRONITRILE; 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$NAME: N-BUTYRONITRILE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H7N
CH$EXACT_MASS: 69.05785
CH$SMILES: CCCC#N
CH$IUPAC: InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3
CH$LINK: INCHIKEY
KVNRLNFWIYMESJ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1026823
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$SPLASH: splash10-002f-9000000000-56013d5c787b2c9f4521
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
15 1.93 19
26 5.59 56
27 26.07 261
28 3.8 38
29 52.84 528
30 1.41 14
37 2.82 28
38 3.24 32
39 8.6 86
40 3.43 34
41 99.99 999
42 3.66 37
51 1.64 16
52 2.91 29
54 1.08 11
64 1.41 14
66 0.94 9
68 1.13 11
69 0.33 3
//