MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001132
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001132
RECORD_TITLE: COUMARIN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAKAYAMA M, MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: COUMARIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H6O2
CH$EXACT_MASS: 146.03678
CH$SMILES: O=C(C=1)Oc(c2)c(ccc2)C1
CH$IUPAC: InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
CH$LINK: INCHIKEY
ZYGHJZDHTFUPRJ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7020348
AC$INSTRUMENT: HITACHI RMU-7L
AC$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$SPLASH: splash10-00kb-8900000000-89e86d11a0dc2841af42
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
17 2.3 23
18 8.1 81
26 1.7 17
27 4.7 47
31 2.3 23
32 1.2 12
37 2.3 23
38 9.3 93
39 14.5 145
49 1.2 12
50 7 70
51 8.1 81
53 1.2 12
59 7 70
61 4.1 41
62 10.5 105
63 26.7 267
64 8.1 81
74 1.2 12
75 2.3 23
76 1.2 12
86 1.7 17
87 1.7 17
89 27.3 273
90 37.8 378
91 2.9 29
92 2.3 23
118 88.9 889
119 6.4 64
146 99.99 999
147 11.1 111
//