MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003524
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003524
RECORD_TITLE: INDOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: INDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H7N
CH$EXACT_MASS: 117.05785
CH$SMILES: C1=CC=C2C(=C1)C=CN2
CH$IUPAC: InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
CH$LINK: INCHIKEY
SIKJAQJRHWYJAI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0020737
AC$INSTRUMENT: HITACHI M-68
AC$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$SPLASH: splash10-014i-9800000000-33bf321019a6a8e3401a
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
17 1.3 13
18 5.3 53
27 1.5 15
28 10.2 102
32 1.8 18
37 1.4 14
38 2.6 26
39 0.35 4
41 1 10
50 2.9 29
51 2.6 26
52 0.17 2
58.5 6.7 67
62 5.2 52
63 10.5 105
64 0.39 4
65 1.3 13
74 1 10
86 1.4 14
87 0.16 2
88 1.8 18
89 23.2 232
90 36 360
91 0.32 3
116 9 90
117 99.99 999
118 9.3 93
//
system version 2.2.6-SNAPSHOT