MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007834
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007834
RECORD_TITLE: 6-METHYLINDOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: 6-METHYLINDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H9N
CH$EXACT_MASS: 131.07350
CH$SMILES: CC1=CC2=C(C=C1)C=CN2
CH$IUPAC: InChI=1S/C9H9N/c1-7-2-3-8-4-5-10-9(8)6-7/h2-6,10H,1H3
CH$LINK: INCHIKEY
ONYNOPPOVKYGRS-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID00187789
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-001i-2900000000-1edf37eb9ca3eec95d15
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
27 1.42 14
28 1.01 10
38 3.11 31
39 6.52 65
51 11.52 115
52 6.72 67
65 9.32 93
65.5 6.94 69
77 16.93 169
78 3.61 36
102 5.66 57
103 10.12 101
104 3.61 36
130 99.99 999
131 81.58 816
132 7.82 78
//
system version 2.2.6-SNAPSHOT