MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011565
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011565
RECORD_TITLE: DL-MANDERIC ACID; 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$NAME: DL-MANDERIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H8O3
CH$EXACT_MASS: 152.04734
CH$SMILES: OC(=O)C(O)c(c1)cccc1
CH$IUPAC: InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)
CH$LINK: COMPTOX
DTXSID6023234
CH$LINK: INCHIKEY
IWYDHOAUDWTVEP-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:1292
AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-4900000000-1e5d0346e089a29e7909
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
28 1 10
29 0.9 9
44 0.6 6
51 0.5 5
75 0.6 6
77 11.8 118
78 2 20
79 36.9 369
80 2.9 29
89 0.8 8
90 3.3 33
91 0.8 8
105 3.5 35
106 3.2 32
107 99.99 999
108 9.2 92
109 0.8 8
152 10.4 104
153 1.2 12
//
system version 2.2.6-SNAPSHOT