MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001133
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001133
RECORD_TITLE: UMBELLIFERONE; 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$NAME: UMBELLIFERONE
CH$NAME: 7-HYDROXYCOUMARIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H6O3
CH$EXACT_MASS: 162.03169
CH$SMILES: O=C(C=2)Oc(c1)c(C2)ccc(O)1
CH$IUPAC: InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H
CH$LINK: INCHIKEY
ORHBXUUXSCNDEV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5052626
AC$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: splash10-03gi-9700000000-61b0cf13acd34fc7ef62
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
17 1.3 13
18 3.8 38
27 5.1 51
28 9.1 91
29 3.8 38
31 1.3 13
37 2.6 26
38 14.1 141
39 14.1 141
41 2.6 26
42 2.6 26
49 2.6 26
50 14.1 141
51 33.3 333
52 14.1 141
53 6.4 64
55 3.8 38
61 5.1 51
62 12.8 128
63 20.5 205
64 3.8 38
65 10.3 103
66 1.3 13
67 25.6 256
74 1.3 13
77 23.1 231
78 42.3 423
79 1.3 13
80 1.3 13
87 1.3 13
105 28.2 282
106 7.7 77
108 1.3 13
133 3.8 38
134 91 910
135 6.4 64
162 99.99 999
163 6.4 64
//
system version 2.2.6-SNAPSHOT