MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002803
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002803
RECORD_TITLE: PSILOCYBIN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: PSILOCYBIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H17N2O4P
CH$EXACT_MASS: 284.09259
CH$SMILES: CN(C)CCC1=CNC2=C1C(=CC=C2)OP(=O)(O)O
CH$IUPAC: InChI=1S/C12H17N2O4P/c1-14(2)7-6-9-8-13-10-4-3-5-11(12(9)10)18-19(15,16)17/h3-5,8,13H,6-7H2,1-2H3,(H2,15,16,17)
CH$LINK: INCHIKEY
QVDSEJDULKLHCG-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0048898
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-9010000000-fa35ae02266e8c5497f9
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
56 0.2 2
57 1.2 12
58 99.99 999
59 0.37 4
60 1 10
61 0.1 1
62 0.2 2
63 0.11 1
64 0.1 1
65 1 10
76 0.2 2
77 0.01 0
78 1.2 12
79 0.1 1
80 0.2 2
130 0.12 1
131 0.6 6
132 0.4 4
133 0.1 1
140 0.02 0
145 0.4 4
146 3.2 32
147 0.4 4
158 0.03 0
159 2.5 25
160 1.4 14
161 0.1 1
202 0.09 1
203 0.2 2
204 15.4 154
205 2.3 23
206 0.03 0
284 0.1 1
//
system version 2.2.6-SNAPSHOT