MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004089
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004089
RECORD_TITLE: 7-HYDROXYCOUMARIN; 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$NAME: 7-HYDROXYCOUMARIN
CH$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$INSTRUMENT: HITACHI RMU-6E
AC$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$SPLASH: splash10-03di-6900000000-dedc215fac13e97ee769
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
27 1.6 16
37 1.5 15
38 4.5 45
38.5 1.3 13
39 8.1 81
43 1.8 18
50 5.7 57
51 1.43 14
52 5.2 52
52.5 1.6 16
53 5 50
55 0.17 2
61 2.3 23
62 5.1 51
63 8.6 86
64 0.29 3
65 4.4 44
67 10.2 102
69 7 70
74 0.14 1
76 1.7 17
77 13.2 132
78 21.7 217
79 0.28 3
105 18.6 186
106 8 80
133 2.6 26
134 8.59 86
135 7.1 71
161 1 10
162 99.99 999
163 1.23 12
164 1.3 13
//
system version 2.2.8-SNAPSHOT