MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001136
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001136
RECORD_TITLE: 7-ACETOXY-4-METHYLCOUMARIN; 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$NAME: 7-ACETOXY-4-METHYLCOUMARIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H10O4
CH$EXACT_MASS: 218.05791
CH$SMILES: CC(=O)Oc(c2)cc(O1)c(c2)C(C)=CC(=O)1
CH$IUPAC: InChI=1S/C12H10O4/c1-7-5-12(14)16-11-6-9(15-8(2)13)3-4-10(7)11/h3-6H,1-2H3
CH$LINK: INCHIKEY
HXVZGASCDAGAPS-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID70181895
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$SPLASH: splash10-004j-2900000000-f75610fc78ca3d32dd79
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
15 2.9 29
28 2.9 29
32 1 10
39 4 40
42 1 10
43 18.3 183
50 2 20
51 2.4 24
52 1.5 15
53 1.5 15
63 1.5 15
65 6.4 64
76 1.5 15
77 2.4 24
89 1.5 15
91 8.9 89
103 1 10
105 1 10
119 3.5 35
120 3 30
147 14.6 146
148 70.8 708
149 7.9 79
175 1 10
176 99.99 999
177 11.9 119
178 1 10
218 18.3 183
219 2.5 25
//
system version 2.2.8-SNAPSHOT