MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000873
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000873
RECORD_TITLE: DIMETHYLHYDRAZONE METHYLISOPROPENYLKETONE; 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$NAME: DIMETHYLHYDRAZONE METHYLISOPROPENYLKETONE
CH$NAME: 3-METHYL-3-BUTEN-2-ONE DIMETHYLHYDRAZONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H14N2
CH$EXACT_MASS: 126.11570
CH$SMILES: CN(C)N=C(C)C(C)=C
CH$IUPAC: InChI=1S/C7H14N2/c1-6(2)7(3)8-9(4)5/h1H2,2-5H3/b8-7-
CH$LINK: INCHIKEY
JLTPVBBSSSBMDA-FPLPWBNLSA-N
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$SPLASH: splash10-03fu-9600000000-3141612566cd46eb94a8
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
28 13.1 131
29 2.5 25
30 18 180
38 0.16 2
39 14.7 147
40 4.9 49
41 21.3 213
42 6.56 66
43 21.3 213
44 36.1 361
45 10.7 107
50 0.07 1
51 1.5 15
52 1.1 11
53 5.9 59
54 0.18 2
55 3.4 34
56 5.6 56
57 1.5 15
58 1.25 13
59 2.1 21
65 1 10
66 0.8 8
67 0.46 5
68 4.1 41
69 1.6 16
70 18 180
71 0.21 2
72 1.5 15
80 0.4 4
81 0.9 9
82 0.28 3
83 1.3 13
84 2.3 23
85 0.8 8
94 0.06 1
95 4.1 41
96 4.4 44
97 0.7 7
109 0.18 2
110 1 10
111 99.99 999
112 8.9 89
125 0.3 3
126 42.6 426
127 5.4 54
//
system version 2.2.6-SNAPSHOT