MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004327
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004327
RECORD_TITLE: 4-METHYLCARBAZOLE; 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$NAME: 4-METHYLCARBAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H11N
CH$EXACT_MASS: 181.08915
CH$SMILES: CC1=C2C3=CC=CC=C3NC2=CC=C1
CH$IUPAC: InChI=1S/C13H11N/c1-9-5-4-8-12-13(9)10-6-2-3-7-11(10)14-12/h2-8,14H,1H3
CH$LINK: COMPTOX
DTXSID9073967
CH$LINK: INCHIKEY
GNPUIRFDBYALRI-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:19591
AC$INSTRUMENT: MX-1303
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: splash10-001i-1900000000-a19a6ac2bd1205c10303
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
29 1.9 19
39 2.4 24
41 1.5 15
43 0.17 2
50 1 10
51 2.2 22
52 1 10
55 0.11 1
62 1.1 11
63 3.1 31
64 1.1 11
74 0.15 2
75 2.2 22
75.5 1.1 11
76 3.8 38
77 0.79 8
77.5 1.4 14
87 1.4 14
89 4.4 44
89.5 0.25 3
90 6.5 65
90.5 6.9 69
91 1.5 15
101 0.14 1
102 1 10
113 1.4 14
114 1 10
115 0.14 1
126 2.1 21
127 4 40
128 2.2 22
139 0.18 2
140 2.2 22
150 1.8 18
151 5.6 56
152 1.24 12
153 5.1 51
154 2.8 28
164 1.4 14
166 0.1 1
170 1 10
177 2.1 21
178 7.5 75
179 0.69 7
180 76.5 765
181 99.99 999
182 14.7 147
183 1.2 12
//