MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003290
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003290
RECORD_TITLE: N,N-DIISOBUTYLNITROSOAMINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: N,N-DIISOBUTYLNITROSOAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H18N2O
CH$EXACT_MASS: 158.14191
CH$SMILES: O=NN(CC(C)C)CC(C)C
CH$IUPAC: InChI=1S/C8H18N2O/c1-7(2)5-10(9-11)6-8(3)4/h7-8H,5-6H2,1-4H3
CH$LINK: INCHIKEY
XLZCLFRMPCBSDI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID90244219
AC$INSTRUMENT: VARIAN MAT-44
AC$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$SPLASH: splash10-0a4i-9000000000-798c08102f15dfb9267f
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
54 2.28 23
55 21.74 217
56 31.04 310
57 99.99 999
58 3.93 39
70 4.57 46
72 3.02 30
73 8.42 84
84 35.62 356
85 5.9 59
86 5.44 54
103 2.28 23
115 3.29 33
//
system version 2.2.4-SNAPSHOT