MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000844
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000844
RECORD_TITLE: DI-N-BUTYLHYDRAZONE BUTYRALDEHYDE; 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$NAME: DI-N-BUTYLHYDRAZONE BUTYRALDEHYDE
CH$NAME: BUTYRALDEHYDE DIBUTYLHYDRAZONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H26N2
CH$EXACT_MASS: 198.20960
CH$SMILES: CCCC=NN(CCCC)CCCC
CH$IUPAC: InChI=1S/C12H26N2/c1-4-7-10-13-14(11-8-5-2)12-9-6-3/h10H,4-9,11-12H2,1-3H3/b13-10+
CH$LINK: INCHIKEY
SUXRDGHXUJLOLZ-JLHYYAGUSA-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$SPLASH: splash10-0a4i-8900000000-26fb81a2a229393d825f
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
27 9.8 98
28 6.9 69
29 23.4 234
30 1.69 17
39 3.6 36
41 20.8 208
42 9.6 96
43 1.05 11
44 7.7 77
53 0.7 7
54 0.8 8
55 0.52 5
56 3.9 39
57 15.6 156
58 1.3 13
68 0.11 1
69 1.2 12
70 7.1 71
71 1.2 12
72 0.21 2
83 1.8 18
84 4.3 43
85 1 10
86 0.32 3
99 19.5 195
100 1.8 18
111 0.6 6
112 0.06 1
113 27.3 273
114 2.3 23
126 0.7 7
127 0.05 1
128 0.7 7
155 99.99 999
156 10.5 105
169 0.17 2
197 0.6 6
198 13.6 136
199 2.5 25
//
system version 2.2.6-SNAPSHOT