MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000824
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000824
RECORD_TITLE: SEC-BUTYLHYDRAZONE METHYLETHYLKETONE; 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$NAME: SEC-BUTYLHYDRAZONE METHYLETHYLKETONE
CH$NAME: 2-BUTANONE SEC-BUTYLHYDRAZONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H18N2
CH$EXACT_MASS: 142.14700
CH$SMILES: CCC(C)NN=C(C)CC
CH$IUPAC: InChI=1S/C8H18N2/c1-5-7(3)9-10-8(4)6-2/h7,9H,5-6H2,1-4H3/b10-8-
CH$LINK: INCHIKEY
PSEJHDMQAHLTJM-NTMALXAHSA-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$SPLASH: splash10-01ox-9400000000-dc5c8ff61e8a6cebba69
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
27 9.5 95
28 7.8 78
29 18.9 189
30 0.34 3
39 4.5 45
40 1 10
41 11.4 114
42 99.99 999
43 5.1 51
44 12.8 128
53 1 10
54 0.24 2
55 4.4 44
56 3.8 38
57 6.5 65
58 0.19 2
68 2.7 27
69 1.7 17
70 18.9 189
71 0.32 3
72 5.7 57
84 1 10
85 1.7 17
86 0.1 1
97 0.9 9
111 2.1 21
113 71.6 716
114 0.56 6
127 5.5 55
140 1.7 17
142 14.9 149
143 2.3 23
//
system version 2.2.6-SNAPSHOT