MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002572
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002572
RECORD_TITLE: ISOBUTYRONITRILE; 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$NAME: ISOBUTYRONITRILE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H7N
CH$EXACT_MASS: 69.05785
CH$SMILES: N#CC(C)C
CH$IUPAC: InChI=1S/C4H7N/c1-4(2)3-5/h4H,1-2H3
CH$LINK: INCHIKEY
LRDFRRGEGBBSRN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5026461
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$SPLASH: splash10-0006-9000000000-6be686822068ec03a28b
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
14 1.28 13
15 5.5 55
26 10.2 102
27 18.22 182
28 22.34 223
29 1.4 14
37 4.19 42
38 4.64 46
39 13.85 139
40 5.32 53
41 24.97 250
42 99.99 999
43 3.73 37
51 5.41 54
52 11 110
53 10.36 104
54 28.06 281
64 1.65 17
66 1.31 13
67 1.19 12
68 61.12 611
69 2.99 30
//