MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009576
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009576
RECORD_TITLE: COUMARIN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAMAMATSU UNIV. SCHOOL OF MEDICINE
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$LINK: COMPTOX
DTXSID7020348
CH$LINK: INCHIKEY
ZYGHJZDHTFUPRJ-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:323
AC$INSTRUMENT: JEOL JMS-AX-505-H
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: splash10-02tj-9600000000-4a54f8d648a87a9c5811
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
26 2.74 27
27 2.51 25
28 2.79 28
29 1.37 14
31 1.59 16
37 4.7 47
38 10.36 104
39 14.87 149
40 2.84 28
43 4.19 42
44 2.18 22
45 7.34 73
49 2.02 20
50 10.37 104
51 12.6 126
52 1.33 13
53 2.31 23
59 6.91 69
61 5.77 58
62 13.84 138
63 32.86 329
64 13.03 130
73 1.64 16
74 4.11 41
75 2.97 30
76 1.21 12
85 1.44 14
86 2.57 26
87 2.19 22
88 1.18 12
89 41.26 413
90 50 500
91 4.17 42
92 3 30
118 99.99 999
119 10.51 105
146 82.85 829
147 9.73 97
//