MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000817
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000817
RECORD_TITLE: PHENYLHYDRAZONE ISOBUTYRALDEHYDE; 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$NAME: PHENYLHYDRAZONE ISOBUTYRALDEHYDE
CH$NAME: ISOBUTYRALDEHYDE PHENYLHYDRAZONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H14N2
CH$EXACT_MASS: 162.11570
CH$SMILES: CC(C)C=NNc(c1)cccc1
CH$IUPAC: InChI=1S/C10H14N2/c1-9(2)8-11-12-10-6-4-3-5-7-10/h3-9,12H,1-2H3/b11-8+
CH$LINK: INCHIKEY
JRPJYFGSRTYOBF-DHZHZOJOSA-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$SPLASH: splash10-03gl-9700000000-c3a0f1fcb115753fb12d
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
27 19.2 192
29 6.9 69
39 27.7 277
41 1.42 14
43 6.9 69
51 15.4 154
52 6.2 62
65 6.16 62
66 19.2 192
77 34.6 346
91 12.7 127
92 7.31 73
93 77 770
94 8.5 85
105 8.2 82
106 4.23 42
107 8.5 85
117 6.2 62
118 9.2 92
119 1.23 12
120 5.4 54
133 35.4 354
134 15 150
147 0.3 3
161 3.8 38
162 99.99 999
163 12.7 127
//