MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000837
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000837
RECORD_TITLE: HEXAMETHYLENEHYDRAZONE ACETALDEHYDE; 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$NAME: HEXAMETHYLENEHYDRAZONE ACETALDEHYDE
CH$NAME: ACETALDEHYDE HEXAMETHYLENEHYDRAZONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H16N2
CH$EXACT_MASS: 140.13135
CH$SMILES: CC=NN(C1)CCCCC1
CH$IUPAC: InChI=1S/C8H16N2/c1-2-9-10-7-5-3-4-6-8-10/h2H,3-8H2,1H3/b9-2+
CH$LINK: INCHIKEY
XLYFNXWSNVFHET-XNWCZRBMSA-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$SPLASH: splash10-0006-9100000000-f132c35a2f699f06b8d9
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
28 26.2 262
29 14.2 142
30 19.6 196
39 1.31 13
40 4.6 46
41 42.3 423
42 99.99 999
43 1.89 19
44 20.8 208
53 2.7 27
54 3.5 35
55 1.73 17
56 15 150
57 6.5 65
58 3.5 35
67 0.23 2
68 8.5 85
69 42.3 423
70 16.2 162
71 1.83 18
72 4.2 42
82 7.3 73
83 5.8 58
84 0.66 7
85 13.5 135
96 9.6 96
97 19.2 192
98 2.31 23
99 2.3 23
111 13.1 131
112 2.2 22
125 0.81 8
139 11.2 112
140 42.3 423
141 5 50
//