Parameters of TRANSPEC format

Name	Type	Format	Explanation
AtSymb	string[6]	A6,A2	identifier of element (atomic symbol)
AtWgt	integer	I3	atomic weight of an element
BasInt	real	E11.4	abs. intensity of the base peak
BasMas	real	F6.1	mass number of the base peak
BoilP	real	E13.6	boiling point (°C)
CASNR	string[15]	A15	CAS registry number
CTAB	record	-	connection table
Dens	real	E13.6	density
IdNum	integer	I10	identifying number
IdStrg	string[15]	A15	identifying string
Intens	real	F6.2	percent intensity, peak height
Mass	real	F6.1	mass number
MeltP	real	E13.6	melting point (Celsius)
MolWgt	integer	I5	nominal molecular weight
NamLeng	integer	I4	number of characters in name of substance
NAtom	integer	I4	number of atoms in connection table
NElForm	integer	I4	number of elements in molecular formula
NPeak	integer	I4	number of peaks in a spectrum
NSCode	integer	I4	number of substructure codes
NumNeighb	integer	I2	number of bonding neighbors
OrgLib	string[15]	A15	identifier of the original library
OrgNum	integer	I11	number of the original library
Quality	integer	I4	quality index
RefIdx	real	E13.6	refraction index
SCode	integer	A6	substructure code
StrucName	string[255]	n(A70/)	name of substance
Vers	integer	I4	version number of the TRANSPEC format