MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000835
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000835
RECORD_TITLE: DIETHYLHYDRAZONE PROPIONALDEHYDE; 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$NAME: DIETHYLHYDRAZONE PROPIONALDEHYDE
CH$NAME: PROPIONALDEHYDE DIETHYLHYDRAZONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H16N2
CH$EXACT_MASS: 128.13135
CH$SMILES: CCC=NN(CC)CC
CH$IUPAC: InChI=1S/C7H16N2/c1-4-7-8-9(5-2)6-3/h7H,4-6H2,1-3H3/b8-7+
CH$LINK: INCHIKEY
KIKLTTLXIQUYDB-BQYQJAHWSA-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$SPLASH: splash10-03fr-9600000000-5a10eea91a8798e862e8
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
28 22.2 222
29 28.9 289
30 44.5 445
31 0.13 1
39 5.1 51
40 2 20
41 14.9 149
42 1.91 19
43 10.2 102
44 18 180
45 0.8 8
54 0.2 2
55 1.6 16
56 22.2 222
57 3.1 31
58 3.34 33
59 2.4 24
69 0.9 9
70 4.4 44
71 0.2 2
72 4 40
73 0.9 9
83 0.7 7
84 0.07 1
85 7.6 76
86 1.9 19
87 1.4 14
97 0.06 1
99 5.5 55
100 0.7 7
113 99.99 999
114 0.85 9
115 0.5 5
127 3.1 31
128 35.5 355
129 3.8 38
//
system version 2.2.6-SNAPSHOT