MassBank Record: MSBNK-Keio_Univ-KO003339
ACCESSION: MSBNK-Keio_Univ-KO003339
RECORD_TITLE: Mannitol 1-phosphate; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID M011
CH$NAME: Mannitol 1-phosphate
CH$NAME: D-Mannitol 1-phosphate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H15O9P
CH$EXACT_MASS: 262.04537
CH$SMILES: OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O
CH$IUPAC: InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4-,5-,6-/m1/s1
CH$LINK: CHEBI
16298
CH$LINK: KEGG
C00644
CH$LINK: PUBCHEM
SID:3917
CH$LINK: INCHIKEY
GACTWZZMVMUKNG-KVTDHHQDSA-N
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 263
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-01q9-9300000000-4ba001d15034930de63b
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
45.600 14851.5 94
56.800 49505.0 312
62.900 89109.0 562
68.700 44554.5 281
77.200 44554.5 281
83.100 158416.0 999
98.700 24752.5 156
105.300 24752.5 156
113.300 14851.5 94
119.200 24752.5 156
137.100 29703.0 187
146.900 14851.5 94
162.800 14851.5 94
194.700 59406.0 375
//