MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000887
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000887
RECORD_TITLE: DI-N-BUTYLHYDRAZONE BETA.BETA-DIMETHYLACRYLALDEHYDE; 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$NAME: DI-N-BUTYLHYDRAZONE BETA.BETA-DIMETHYLACRYLALDEHYDE
CH$NAME: 3-METHYL-2-BUTENAL DIBUTYLHYDRAZONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H26N2
CH$EXACT_MASS: 210.20960
CH$SMILES: CCCCN(CCCC)N=CC=C(C)C
CH$IUPAC: InChI=1S/C13H26N2/c1-5-7-11-15(12-8-6-2)14-10-9-13(3)4/h9-10H,5-8,11-12H2,1-4H3/b14-10+
CH$LINK: INCHIKEY
YRNUSWNJDPYSFU-GXDHUFHOSA-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$SPLASH: splash10-014i-8920000000-516511cb384da800aecc
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
28 3.3 33
29 17.6 176
30 8.5 85
39 0.45 5
40 1.3 13
41 15.2 152
42 7.6 76
43 0.74 7
44 5.9 59
53 3.9 39
54 1.3 13
55 1.41 14
56 3.3 33
57 11.1 111
58 0.8 8
65 0.09 1
67 5.9 59
68 3 30
69 22.8 228
70 0.41 4
72 1.4 14
80 2.1 21
81 2 20
82 1.63 16
83 5.2 52
84 9.3 93
86 8.2 82
94 0.3 3
95 1 10
96 5.2 52
97 3.9 39
101 0.24 2
109 1 10
110 1.2 12
111 15.9 159
112 0.18 2
124 1.3 13
125 24.7 247
126 3.9 39
128 0.19 2
138 3.3 33
139 1.4 14
153 1.9 19
167 99.99 999
168 12.6 126
209 1.8 18
210 44.5 445
211 7.6 76
//
system version 2.2.6-SNAPSHOT