MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001982
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001982
RECORD_TITLE: 6-FORMYL-2,3-DIMETHYLINDOLE; 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$NAME: 6-FORMYL-2,3-DIMETHYLINDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H11NO
CH$EXACT_MASS: 173.08406
CH$SMILES: CC1=C(NC2=C1C=CC(=C2)C=O)C
CH$IUPAC: InChI=1S/C11H11NO/c1-7-8(2)12-11-5-9(6-13)3-4-10(7)11/h3-6,12H,1-2H3
CH$LINK: INCHIKEY
LVTRGCDDMKIQRG-UHFFFAOYSA-N
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 50 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00dj-4900000000-82b34630d72589a5358c
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
45 52.4 524
51 15 150
55 11.7 117
63 0.61 6
70 10.6 106
80 18.4 184
91 3.9 39
92 0.26 3
97 3 30
104 1.3 13
107 2 20
108 0.44 4
109 5 50
121 11.1 111
122 2.4 24
123 0.2 2
133 3.3 33
134 3.9 39
135 1.8 18
147 0.5 5
148 15 150
149 25 250
150 2 20
153 0.11 1
161 25 250
162 1.4 14
173 99.99 999
174 11.6 116
//
system version 2.2.6-SNAPSHOT