MassBank Record: MSBNK-Keio_Univ-KO003338
ACCESSION: MSBNK-Keio_Univ-KO003338
RECORD_TITLE: Mannitol 1-phosphate; LC-ESI-QQ; MS2; CE:20 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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 263
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-9670000000-03053fb004aa1c4e49ec
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
45.800 14851.5 24
58.500 9901.0 16
62.200 49505.0 81
68.800 9901.0 16
77.000 64356.5 106
83.200 608911.5 999
87.300 39604.0 65
95.400 19802.0 32
100.200 14851.5 24
105.000 49505.0 81
111.600 9901.0 16
116.900 14851.5 24
120.900 34653.5 57
123.900 34653.5 57
124.200 54455.5 89
135.900 24752.5 41
157.300 54455.5 89
163.200 44554.5 73
172.700 9901.0 16
180.800 34653.5 57
186.100 24752.5 41
192.100 9901.0 16
194.800 99010.0 162
198.900 39604.0 65
203.400 297030.0 487
204.100 19802.0 32
225.000 89109.0 146
227.100 74257.5 122
231.400 158416.0 260
245.000 34653.5 57
263.200 44554.5 73
//