MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003207
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003207
RECORD_TITLE: KOJIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAKATA H, DEPT. OF CHEMISTRY, AICHI KYOIKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: KOJIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H6O4
CH$EXACT_MASS: 142.02661
CH$SMILES: OCC(O1)=CC(=O)C(O)=C1
CH$IUPAC: InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2
CH$LINK: INCHIKEY
BEJNERDRQOWKJM-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2040236
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$SPLASH: splash10-05p6-9300000000-704def65872ec878b268
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
25 10 100
27 7 70
28 11 110
29 53 530
30 5 50
31 15 150
32 11 110
38 9 90
39 40 400
40 6 60
41 12 120
42 12 120
43 6 60
44 10 100
53 10 100
54 6 60
55 20 200
56 9 90
57 30 300
67 7 70
68 10 100
69 74 740
70 5 50
71 8 80
83 5 50
84 8 80
85 22 220
86 5 50
96 5 50
97 14 140
113 36 360
114 8 80
140 9 90
141 5 50
142 99.99 999
143 8 80
//