MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000822
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000822
RECORD_TITLE: ISOPROPYLHYDRAZONE ACETONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: ISOPROPYLHYDRAZONE ACETONE
CH$NAME: ACETONE ISOPROPYLHYDRAZONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H14N2
CH$EXACT_MASS: 114.11570
CH$SMILES: CC(C)NN=C(C)C
CH$IUPAC: InChI=1S/C6H14N2/c1-5(2)7-8-6(3)4/h5,7H,1-4H3
CH$LINK: INCHIKEY
NEMJPYNJMBONJU-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID50225226
AC$INSTRUMENT: SHIMADZU LKB-2091
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: splash10-0a4j-9000000000-351807f0bc5477cf4896
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
27 11.4 114
28 16.9 169
29 6.9 69
30 1.29 13
31 2.9 29
32 2.9 29
39 9.7 97
40 0.34 3
41 19.7 197
42 21.7 217
43 12 120
44 0.94 9
54 3.7 37
55 6.9 69
56 99.99 999
57 1.74 17
58 11.1 111
71 5.7 57
72 4.6 46
82 0.1 1
83 0.9 9
99 88.6 886
100 0.7 7
113 0.18 2
114 31.5 315
115 3.1 31
//