MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010547
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010547
RECORD_TITLE: INDOLE-3-CARBALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA
CH$NAME: INDOLE-3-CARBALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H7NO
CH$EXACT_MASS: 145.05276
CH$SMILES: C1=CC=C2C(=C1)C(=CN2)C=O
CH$IUPAC: InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H
CH$LINK: CAS
487-89-8
CH$LINK: INCHIKEY
OLNJUISKUQQNIM-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5060069
AC$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 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0007-2900000000-c43b940db5ef735c79d6
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
28 1.14 11
29 3.49 35
39 1.44 14
40 1.96 20
51 1.73 17
52 1.56 16
53 1.26 13
61 2.19 22
62 5.89 59
63 8.68 87
64 1.95 20
65 1.06 11
74 1.89 19
75 1.34 13
76 1.1 11
85 1.12 11
86 2.22 22
87 3.57 36
88 3.94 39
89 23.46 235
90 5.38 54
114 1.72 17
115 3.37 34
116 25.88 259
117 4.89 49
143 1.52 15
144 99.99 999
145 83.21 832
146 8.72 87
//