MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000850
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000850
RECORD_TITLE: DIMETHYLHYDRAZONE DIETHYLKETONE; 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$NAME: DIMETHYLHYDRAZONE DIETHYLKETONE
CH$NAME: 3-PENTANONE DIMETHYLHYDRAZONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H16N2
CH$EXACT_MASS: 128.13135
CH$SMILES: CCC(CC)=NN(C)C
CH$IUPAC: InChI=1S/C7H16N2/c1-5-7(6-2)8-9(3)4/h5-6H2,1-4H3
CH$LINK: COMPTOX
DTXSID50937418
CH$LINK: INCHIKEY
LXFGNBFOJJSPPZ-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:277538
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$SPLASH: splash10-0007-9100000000-b91983d7ebec95b0a41f
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
29 14.3 143
30 5.4 54
39 4.5 45
40 0.13 1
41 9.4 94
42 28.5 285
43 17.8 178
44 99.99 999
45 94 940
46 8.3 83
52 0.7 7
53 0.14 1
54 9.2 92
55 8.1 81
56 32.3 323
57 0.98 10
58 8.7 87
59 2.4 24
67 1.2 12
68 0.42 4
69 1.4 14
70 2.3 23
71 0.7 7
72 0.19 2
82 5.6 56
83 2.6 26
84 17.8 178
85 0.58 6
97 0.7 7
99 6.4 64
113 2.7 27
127 0.09 1
128 42.8 428
129 6.1 61
//
system version 2.2.6-SNAPSHOT